A0A3Q0KCX7_SCHMA Loading...

Isocitrate dehydrogenase [NAD] subunit, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KCX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 372 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	31.6	Very low	231 Å²	231	161.5 Å²	161.5	100%	1.138	84%	0.842	S	S	*	*				0	34.6	0	-147.3	171.2	-171.2	0	0	113.4
2	L	32.4	Very low	31.8	Very low	150 Å²	150	156.3 Å²	156.3	79%	0.785	84%	0.839	S	S	*	*			trans	-142	17.1	168.6	-107.1	158.1	0	0	0	111.8
3	F	36.1	Very low	31.7	Very low	115 Å²	115	157.2 Å²	157.2	50%	0.504	84%	0.844	S	S	.	*	S	Bend	trans	-95.6	8.7	-179.3	-103.6	-80.3	0	0	0	114.3	H287	F3-H287 WeakPolarHBondContact CD2-O 3.48Å
4	R	30.2	Very low	32	Very low	237 Å²	237	159.8 Å²	159.8	89%	0.894	84%	0.844	S	S	*	*	S	Bend	trans	-145.5	88.6	174.9	-78.2	-173.7	168.4	-172.3	-2.8	111.2
5	C	28.1	Very low	32.2	Very low	126 Å²	126	158.7 Å²	158.7	85%	0.851	85%	0.846	S	S	*	*			trans	-179.5	150.3	147.8	-103.8	0	0	0	0	109.2
6	L	29.2	Very low	32.2	Very low	176 Å²	176	153.9 Å²	153.9	92%	0.921	85%	0.847	S	S	*	*			trans	89.7	60.7	174.9	-57.5	151.4	0	0	0	115.6
7	T	30.3	Very low	32.1	Very low	134 Å²	134	156.9 Å²	156.9	82%	0.822	85%	0.85	S	S	*	*	S	Bend	trans	-119.1	132	134.8	21.7	0	0	0	0	106.7
8	S	29.7	Very low	32.2	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	85%	0.847	S	S	*	*			trans	87.3	92.3	171	-43.6	0	0	0	0	116.1
9	I	31.9	Very low	32.1	Very low	169 Å²	169	152.4 Å²	152.4	87%	0.867	84%	0.837	S	S	*	*				-174.7	97.1	127.3	-82.6	145.2	0	0	0	106.3
10	I	30.5	Very low	32.1	Very low	162 Å²	162	153.1 Å²	153.1	83%	0.831	84%	0.839	S	S	*	*			trans	-124.2	105.7	160.1	-67.6	173.7	0	0	0	103.7
11	L	33.1	Very low	32.2	Very low	166 Å²	166	151.2 Å²	151.2	87%	0.869	83%	0.832	S	S	*	*			trans	175.4	137.1	150.1	-98.2	142.1	0	0	0	110.8
12	A	33.2	Very low	32.1	Very low	98 Å²	98	149.3 Å²	149.3	81%	0.81	82%	0.818	S	S	*	*			trans	86.7	87.4	165.5	0	0	0	0	0	119
13	N	30.6	Very low	32.3	Very low	168 Å²	168	151.8 Å²	151.8	90%	0.898	83%	0.825	S	S	*	*			trans	-104.2	122.3	150.1	-106.7	-15.1	0	0	0	108.6
14	K	36.5	Very low	32.2	Very low	194 Å²	194	151 Å²	151	84%	0.843	84%	0.84	S	S	*	*			trans	-151.4	118.1	156.4	-90.5	-166.8	179.2	179.5	0	111.2
15	T	34.4	Very low	32.5	Very low	143 Å²	143	148.8 Å²	148.8	88%	0.877	84%	0.836	S	S	*	*			trans	65.4	123.8	141.2	58.1	0	0	0	0	121.5
16	G	33.2	Very low	32.6	Very low	83 Å²	83	154.9 Å²	154.9	86%	0.856	84%	0.842	S	S	*	*			trans	159.1	97.7	155.9	0	0	0	0	0	114.8
17	F	30	Very low	32.9	Very low	205 Å²	205	155.5 Å²	155.5	90%	0.899	84%	0.837	S	S	*	*			trans	-94.6	124.5	178.2	-138	-91.4	0	0	0	109.4
18	V	33.7	Very low	33.2	Very low	132 Å²	132	157.8 Å²	157.8	80%	0.8	84%	0.838	S	S	*	*			trans	-146.4	123.4	158	-179.1	0	0	0	0	109.6
19	S	29.7	Very low	33.1	Very low	95 Å²	95	160.6 Å²	160.6	66%	0.664	84%	0.843	S	S	*	*			trans	-89.5	132.6	171.4	161.3	0	0	0	0	109.8
20	L	33.3	Very low	33	Very low	166 Å²	166	156.4 Å²	156.4	87%	0.869	83%	0.829	S	S	*	*			trans	-145	110.3	164.8	-106.6	150.8	0	0	0	109.5
21	T	33.9	Very low	32.9	Very low	114 Å²	114	155.6 Å²	155.6	70%	0.699	83%	0.832	S	S	*	*			trans	-84.4	147.4	177.4	41.4	0	0	0	0	113
22	K	33.7	Very low	32.9	Very low	191 Å²	191	154 Å²	154	83%	0.83	82%	0.824	S	S	*	*			trans	68.2	107.3	157.7	-68.6	176.8	-179.9	178.8	0	116.9
23	H	38	Very low	32.8	Very low	202 Å²	202	154.7 Å²	154.7	94%	0.935	82%	0.823	S	S	*	*				-151.9	133.8	129.1	-101.3	74.6	0	0	0	109.5
24	A	33.5	Very low	32.9	Very low	99 Å²	99	154.1 Å²	154.1	82%	0.818	82%	0.82	S	S	*	*			trans	-76.8	137.3	-170.1	0	0	0	0	0	113
25	K	35	Very low	33.4	Very low	190 Å²	190	149 Å²	149	83%	0.826	81%	0.814	S	S	*	*			trans	-133.2	108.7	147.7	-89.4	-176.4	176.5	178.1	0	108.2	F27	K25-F27 PolarHBondContact O-N 3.15Å; K25-F27 VanDerWaalsContact O-N 3.15Å
26	R	31.8	Very low	34.8	Very low	255 Å²	255	148 Å²	148	96%	0.962	80%	0.799	S	S	*	*			trans	-56.9	109.5	162.1	-91	175	165.9	169.7	-4.9	107.3
27	F	34.5	Very low	37.1	Very low	188 Å²	188	152.9 Å²	152.9	83%	0.825	80%	0.799	S	S	*	*			trans	-88.8	122.5	160.8	-106.3	-93.4	0	0	0	107.8	K25 L29	K25-F27 PolarHBondContact O-N 3.15Å; K25-F27 VanDerWaalsContact O-N 3.15Å; F27-L29 PolarHBondContact O-N 3.2Å
28	H	36.3	Very low	40	Very low	182 Å²	182	149.3 Å²	149.3	84%	0.843	78%	0.784	S	S	*	*			trans	-50.6	129.9	171.6	-97.7	-67.9	0	0	0	110.4	S30	H28-S30 VanDerWaalsContact C-N 3.35Å; H28-S30 PolarHBondContact O-N 3.41Å
29	L	28.6	Very low	42.9	Very low	170 Å²	170	147 Å²	147	89%	0.89	76%	0.763	S	S	*	*			trans	-57.6	101.3	154.1	-102.3	81	0	0	0	107.5	F27	F27-L29 PolarHBondContact O-N 3.2Å
30	S	30.1	Very low	46.2	Very low	81 Å²	81	145 Å²	145	57%	0.566	75%	0.747	S	S	*	*			trans	-91.2	113.4	153.3	57.6	0	0	0	0	107.1	H28 L32	H28-S30 VanDerWaalsContact C-N 3.35Å; H28-S30 PolarHBondContact O-N 3.41Å; S30-L32 PolarHBondContact O-N 3.31Å
31	T	28.6	Very low	49.3	Very low	146 Å²	146	137.1 Å²	137.1	90%	0.896	71%	0.705	S	S	*	*			trans	-57	85.2	157	34.3	0	0	0	0	108.7
32	L	31.5	Very low	52.4	Low	132 Å²	132	131.7 Å²	131.7	69%	0.691	67%	0.672	S	S	*	*			trans	-89	117.6	164.8	-74.9	163.9	0	0	0	106.3	S30 N34	S30-L32 PolarHBondContact O-N 3.31Å; L32-N34 PolarHBondContact O-N 3.16Å
33	S	31.3	Very low	55.4	Low	113 Å²	113	122.6 Å²	122.6	79%	0.79	63%	0.633	S	S	*	*			trans	-53.1	106.4	164.7	53.4	0	0	0	0	108.7	A35	S33-A35 PolarHBondContact O-N 3Å
34	N	33.3	Very low	58.2	Low	156 Å²	156	113 Å²	113	83%	0.834	59%	0.588	S	S	*	*			trans	-69.8	74.2	167.7	-82.2	-15.1	0	0	0	108.6	L32 E36	L32-N34 PolarHBondContact O-N 3.16Å; N34-E36 VanDerWaalsContact C-N 3.26Å; N34-E36 PolarHBondContact O-N 2.82Å; N34-E36 VanDerWaalsContact O-N 3.12Å
35	A	47.9	Very low	61.1	Low	87 Å²	87	108.9 Å²	108.9	72%	0.719	55%	0.553	S	S	*	*			trans	-75.1	90.6	158.6	0	0	0	0	0	106	S33 E37	S33-A35 PolarHBondContact O-N 3Å; A35-E37 PolarHBondContact O-N 2.68Å
36	E	62.3	Low	63.9	Low	122 Å²	122	100.2 Å²	100.2	57%	0.57	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-51	127.5	168.4	-75.4	-176.4	165.2	0	0	108.4	N34 K38 P67	N34-E36 VanDerWaalsContact C-N 3.26Å; N34-E36 PolarHBondContact O-N 2.82Å; N34-E36 VanDerWaalsContact O-N 3.12Å; E36-K38 PolarHBondContact O-N 2.98Å; E36-K38 VanDerWaalsContact O-N 3.09Å; E36-P67 HydrophobicContact CB-CB 4.39Å
37	E	82.7	Confident	66.7	Low	184 Å²	184	89.4 Å²	89.4	86%	0.86	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-56.8	118	179.3	-172.3	179.5	-176.4	0	0	109	A35 K39	A35-E37 PolarHBondContact O-N 2.68Å; E37-K39 PolarHBondContact O-N 2.92Å
38	K	90.8	Very high	69.5	Low	131 Å²	131	81.3 Å²	81.3	57%	0.57	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-63.9	131.8	-177.8	-69.5	-174.2	179.2	-177.8	0	109.7	E36 P67 Q69	E36-K38 PolarHBondContact O-N 2.98Å; E36-K38 VanDerWaalsContact O-N 3.09Å; K38-P67 WeakPolarHBondContact CA-O 3.46Å; K38-Q69 HydrophobicContact CB-CB 4.46Å
39	K	95	Very high	72.2	Confident	84 Å²	84	72.8 Å²	72.8	37%	0.365	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.8	174.1	-63.6	-174.1	-178.3	-176.6	0	110	E37 P67 V68 Q69 I325	E37-K39 PolarHBondContact O-N 2.92Å; K39-P67 PolarHBondContact N-O 3.44Å; K39-V68 VanDerWaalsContact O-CA 3.31Å; K39-V68 WeakPolarHBondContact O-CA 3.37Å; K39-Q69 PolarHBondContact O-N 3.01Å; K39-I325 HydrophobicContact CB-CD1 4.36Å; K39-I325 HydrophobicContact CD-CB 4.18Å; K39-I325 HydrophobicContact CD-CD1 4.12Å; K39-I325 HydrophobicContact CD-CG1 4.39Å; K39-I325 PolarHBondContact NZ-O 3.21Å
40	T	97.8	Very high	75.4	Confident	52 Å²	52	65.4 Å²	65.4	32%	0.319	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130	175.1	-53	0	0	0	0	110.4	Q69 E71	T40-Q69 CarbonylContact C-O 3.51Å; T40-Q69 VanDerWaalsContact CA-O 3.31Å; T40-Q69 WeakPolarHBondContact CA-O 3.42Å; T40-E71 HydrophobicContact CG2-CB 3.83Å
41	V	98.5	Very high	78.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.2	177.3	174.5	0	0	0	0	108.3	L43 V68 Q69 F70 E71 V99 L101 L321 I325	V41-L43 PolarHBondContact O-N 3.2Å; V41-V68 HydrophobicContact CB-CG1 3.98Å; V41-V68 HydrophobicContact CG2-CG1 3.63Å; V41-V68 HydrophobicContact CG2-CG2 4.33Å; V41-Q69 PolarHBondContact N-O 3.49Å; V41-F70 HydrophobicContact CB-CD1 4.09Å; V41-F70 HydrophobicContact CB-CE1 4.25Å; V41-F70 HydrophobicContact CG1-CD1 4.17Å; V41-F70 HydrophobicContact CG1-CE1 4.09Å; V41-F70 CarbonylContact O-C 3.49Å; V41-F70 WeakPolarHBondContact O-CA 3.4Å; V41-E71 PolarHBondContact O-N 2.64Å; V41-V99 HydrophobicContact CB-CG1 4.44Å; V41-V99 HydrophobicContact CG1-CG1 4.38Å; V41-V99 HydrophobicContact CG2-CG1 3.92Å; V41-L101 HydrophobicContact CG1-CB 4.44Å; V41-L321 HydrophobicContact CG1-CD1 3.72Å; V41-L321 HydrophobicContact CG1-CD2 4.38Å; V41-L321 HydrophobicContact CG2-CD2 4.01Å; V41-I325 HydrophobicContact CG2-CD1 4.28Å
42	T	98.6	Very high	81.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.2	173.8	-60.6	0	0	0	0	109.9	L44 E71 V73 S93 V94 N97 V99 A100 L101	T42-L44 HydrophobicContact CG2-CD2 3.72Å; T42-L44 HydrophobicContact CG2-CG 4.01Å; T42-E71 WeakPolarHBondContact CA-O 3.16Å; T42-V73 HydrophobicContact CG2-CG2 4.42Å; T42-S93 VanDerWaalsContact CG2-OG 3.28Å; T42-S93 WeakPolarHBondContact CG2-OG 3.41Å; T42-S93 PolarHBondContact OG1-O 3.45Å; T42-S93 VanDerWaalsContact OG1-O 3.13Å; T42-S93 PolarHBondContact OG1-OG 3.3Å; T42-V94 HydrophobicContact CG2-CG2 3.93Å; T42-N97 PolarHBondContact OG1-ND2 2.97Å; T42-V99 PolarHBondContact N-O 3.14Å; T42-A100 HydrophobicContact CG2-CB 4.34Å; T42-A100 CarbonylContact O-C 3.59Å; T42-A100 WeakPolarHBondContact O-CA 3.41Å; T42-L101 PolarHBondContact O-N 3.28Å
43	L	98.3	Very high	84.7	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.4	175.8	-175	72.5	0	0	0	109.4	V41 F54 K58 F70 E71 E72 V73 L101	V41-L43 PolarHBondContact O-N 3.2Å; L43-F54 HydrophobicContact CD1-CD1 3.5Å; L43-F54 VanDerWaalsContact CD1-CD1 3.5Å; L43-F54 HydrophobicContact CD1-CD2 4.45Å; L43-F54 HydrophobicContact CD1-CE1 3.66Å; L43-F54 HydrophobicContact CD1-CG 3.93Å; L43-F54 HydrophobicContact CD1-CZ 4.17Å; L43-F54 HydrophobicContact CD2-CB 4.44Å; L43-K58 HydrophobicContact CD2-CD 4.21Å; L43-F70 HydrophobicContact CB-CB 4.04Å; L43-F70 HydrophobicContact CB-CD1 3.98Å; L43-F70 HydrophobicContact CB-CG 4.26Å; L43-F70 HydrophobicContact CD1-CD1 4.15Å; L43-F70 HydrophobicContact CD1-CE1 4.3Å; L43-F70 HydrophobicContact CD2-CB 4.22Å; L43-F70 HydrophobicContact CD2-CG 4.27Å; L43-F70 HydrophobicContact CG-CD1 4.47Å; L43-E71 PolarHBondContact N-O 3.07Å; L43-E72 HydrophobicContact CB-CB 4.49Å; L43-E72 HydrophobicContact CD2-CB 4.48Å; L43-E72 HydrophobicContact CD2-CG 4.23Å; L43-E72 WeakPolarHBondContact O-CA 3.29Å; L43-V73 PolarHBondContact O-N 3.48Å; L43-L101 WeakPolarHBondContact CA-O 3.22Å; L43-L101 HydrophobicContact CD1-CB 4.1Å; L43-L101 HydrophobicContact CD1-CD2 4.05Å; L43-L101 HydrophobicContact CD1-CG 4.35Å
44	L	96.6	Very high	87.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	101.1	179.4	-58.3	179.6	0	0	0	108.6	T42 G46 F54 V73 F75 A90 V94 L101 K102 G103 M121	T42-L44 HydrophobicContact CG2-CD2 3.72Å; T42-L44 HydrophobicContact CG2-CG 4.01Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.37Å; L44-F54 WeakPolarHBondContact O-CE2 3.36Å; L44-V73 HydrophobicContact CD2-CB 3.88Å; L44-V73 HydrophobicContact CD2-CG1 4.36Å; L44-V73 WeakPolarHBondContact CD2-O 3.42Å; L44-F75 HydrophobicContact CB-CB 4.07Å; L44-F75 HydrophobicContact CB-CD1 4.43Å; L44-F75 HydrophobicContact CD1-CD1 4.34Å; L44-F75 HydrophobicContact CD1-CG 4.44Å; L44-F75 HydrophobicContact CD2-CB 3.88Å; L44-F75 HydrophobicContact CD2-CG 4.45Å; L44-F75 HydrophobicContact CG-CB 4.39Å; L44-A90 HydrophobicContact CD1-CB 4.33Å; L44-A90 HydrophobicContact CD2-CB 3.8Å; L44-V94 HydrophobicContact CD1-CG2 4.4Å; L44-L101 PolarHBondContact N-O 3.48Å; L44-K102 HydrophobicContact CB-CB 4.02Å; L44-K102 HydrophobicContact CB-CG 4.01Å; L44-K102 HydrophobicContact CD1-CB 4.27Å; L44-K102 HydrophobicContact CD1-CD 4.07Å; L44-K102 HydrophobicContact CD1-CG 4.26Å; L44-K102 CarbonylContact O-C 3.59Å; L44-K102 WeakPolarHBondContact O-CA 3.12Å; L44-G103 PolarHBondContact O-N 2.99Å; L44-M121 HydrophobicContact CD1-CE 3.32Å; L44-M121 HydrophobicContact CD1-SD 3.94Å
45	P	93.7	Very high	90.9	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.078	24%	0.244	C	C	.	.			trans	-67.5	-25.8	-164.5	24.1	-32.3	0	0	0	114.1	W50 P51 F54 V73	P45-W50 CarbonylContact O-C 3.42Å; P45-W50 WeakPolarHBondContact O-CB 3.42Å; P45-P51 HydrophobicContact CB-CG 4.48Å; P45-F54 HydrophobicContact CB-CD2 4.3Å; P45-F54 WeakPolarHBondContact O-CE2 3.49Å; P45-V73 WeakPolarHBondContact CD-O 3.27Å
46	G	92.9	Very high	93.3	Very high	9 Å²	9	41.2 Å²	41.2	9%	0.093	21%	0.214	C	C	.	.			trans	70.8	-162.4	-177.4	0	0	0	0	0	113.2	L44 F75	L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.37Å; G46-F75 VanDerWaalsContact CA-O 3.27Å; G46-F75 WeakPolarHBondContact CA-O 3.35Å; G46-F75 PolarHBondContact N-O 2.72Å
47	D	91.7	Very high	95	Very high	28 Å²	28	35.4 Å²	35.4	15%	0.15	19%	0.186	C	C	.	.	S	Bend	trans	-112	178.3	-178	-60.1	-65.2	0	0	0	112.1	V49 W50 G76 F77 I104 V105 R106	D47-V49 PolarHBondContact O-N 2.95Å; D47-W50 WeakPolarHBondContact O-CB 3.26Å; D47-W50 PolarHBondContact O-N 3.48Å; D47-G76 WeakPolarHBondContact OD1-CA 3.46Å; D47-F77 VanDerWaalsContact CG-N 3.26Å; D47-F77 PolarHBondContact OD1-N 2.79Å; D47-F77 WeakPolarHBondContact OD2-CB 3.37Å; D47-F77 PolarHBondContact OD2-N 2.88Å; D47-I104 PolarHBondContact N-O 3.37Å; D47-V105 VanDerWaalsContact OD2-CA 3.23Å; D47-V105 WeakPolarHBondContact OD2-CA 3.37Å; D47-V105 WeakPolarHBondContact OD2-CG1 3.47Å; D47-R106 HydrophobicContact CB-CB 4.08Å; D47-R106 PolarHBondContact OD2-N 3.5Å
48	G	92.2	Very high	95.7	Very high	18 Å²	18	30 Å²	30	19%	0.186	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-128.8	170.6	0	0	0	0	0	112.9	W50 P51 N301 S304	G48-W50 VanDerWaalsContact C-N 3.25Å; G48-W50 PolarHBondContact O-N 3.43Å; G48-P51 WeakPolarHBondContact O-CD 3.49Å; G48-N301 WeakPolarHBondContact CA-OD1 2.97Å; G48-S304 PolarHBondContact O-OG 3.3Å
49	V	94.5	Very high	96.1	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.5	-178.6	-60.9	0	0	0	0	113.5	D47 E52 L53 S299 F300 A303 A309	D47-V49 PolarHBondContact O-N 2.95Å; V49-E52 WeakPolarHBondContact O-CB 3.14Å; V49-E52 PolarHBondContact O-N 3.06Å; V49-E52 VanDerWaalsContact O-N 3.15Å; V49-L53 HydrophobicContact CG2-CD1 3.84Å; V49-L53 HydrophobicContact CG2-CG 4.39Å; V49-L53 WeakPolarHBondContact O-CG 3.39Å; V49-L53 PolarHBondContact O-N 2.94Å; V49-S299 PolarHBondContact N-O 3.37Å; V49-F300 HydrophobicContact CG1-CB 4.24Å; V49-F300 HydrophobicContact CG1-CD1 4.13Å; V49-F300 HydrophobicContact CG1-CG 4.45Å; V49-F300 WeakPolarHBondContact CG1-O 3.33Å; V49-F300 HydrophobicContact CG2-CB 4.02Å; V49-A303 HydrophobicContact CG1-CB 3.79Å; V49-A309 HydrophobicContact CB-CB 3.67Å; V49-A309 HydrophobicContact CG1-CB 3.83Å; V49-A309 HydrophobicContact CG2-CB 3.94Å
50	W	94.8	Very high	96.2	Very high	15 Å²	15	22.1 Å²	22.1	6%	0.057	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-38.9	-168.2	-65.8	104	0	0	0	114.9	P45 D47 G48 E52 L53 F54 I104 P294 H298 I314	P45-W50 CarbonylContact O-C 3.42Å; P45-W50 WeakPolarHBondContact O-CB 3.42Å; D47-W50 WeakPolarHBondContact O-CB 3.26Å; D47-W50 PolarHBondContact O-N 3.48Å; G48-W50 VanDerWaalsContact C-N 3.25Å; G48-W50 PolarHBondContact O-N 3.43Å; W50-E52 VanDerWaalsContact C-N 3.31Å; W50-E52 PolarHBondContact O-N 2.95Å; W50-L53 HydrophobicContact CD2-CD1 4.21Å; W50-L53 HydrophobicContact CE3-CB 4.32Å; W50-L53 HydrophobicContact CE3-CD1 3.66Å; W50-L53 HydrophobicContact CH2-CD1 3.82Å; W50-L53 HydrophobicContact CZ2-CD1 4.46Å; W50-L53 HydrophobicContact CZ3-CD1 3.4Å; W50-L53 VanDerWaalsContact CZ3-CD1 3.4Å; W50-L53 PolarHBondContact O-N 3.45Å; W50-F54 HydrophobicContact CB-CE2 4.36Å; W50-F54 WeakPolarHBondContact O-CD2 3.31Å; W50-F54 PolarHBondContact O-N 3.23Å; W50-I104 HydrophobicContact CD2-CG1 4.37Å; W50-I104 VanDerWaalsContact CE2-CG1 3.49Å; W50-I104 HydrophobicContact CZ2-CG1 3.68Å; W50-I104 VanDerWaalsContact NE1-CG1 3.31Å; W50-P294 HydrophobicContact CE3-CG 4.07Å; W50-P294 HydrophobicContact CH2-CB 3.71Å; W50-P294 HydrophobicContact CH2-CG 2.93Å; W50-P294 HydrophobicContact CZ2-CB 4.12Å; W50-P294 HydrophobicContact CZ2-CG 3.44Å; W50-P294 VanDerWaalsContact CZ2-CG 3.44Å; W50-P294 HydrophobicContact CZ3-CB 4.42Å; W50-P294 HydrophobicContact CZ3-CG 3.27Å; W50-H298 WeakPolarHBondContact CZ2-O 3.28Å; W50-H298 PolarHBondContact NE1-O 2.91Å; W50-I314 HydrophobicContact CZ3-CB 3.93Å; W50-I314 HydrophobicContact CZ3-CD1 4.48Å; W50-I314 HydrophobicContact CZ3-CG1 4.36Å; W50-I314 HydrophobicContact CZ3-CG2 4.31Å
51	P	94.7	Very high	96.2	Very high	62 Å²	62	20 Å²	20	40%	0.403	12%	0.118	S	C	.	.	H	α-helix	trans	-55.8	-42	171.4	-27.9	36	0	0	0	113.5	P45 G48 F54 V55	P45-P51 HydrophobicContact CB-CG 4.48Å; G48-P51 WeakPolarHBondContact O-CD 3.49Å; P51-F54 PolarHBondContact O-N 3.26Å; P51-V55 PolarHBondContact O-N 3.31Å
52	E	94.6	Very high	96.1	Very high	44 Å²	44	28 Å²	28	21%	0.206	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-46.5	176.3	-173.7	-167	130.4	0	0	111	V49 W50 F54 V55 C56 N307 T358	V49-E52 WeakPolarHBondContact O-CB 3.14Å; V49-E52 PolarHBondContact O-N 3.06Å; V49-E52 VanDerWaalsContact O-N 3.15Å; W50-E52 VanDerWaalsContact C-N 3.31Å; W50-E52 PolarHBondContact O-N 2.95Å; E52-F54 VanDerWaalsContact C-N 3.26Å; E52-F54 PolarHBondContact O-N 3.1Å; E52-V55 WeakPolarHBondContact O-CB 3.28Å; E52-V55 PolarHBondContact O-N 2.89Å; E52-V55 VanDerWaalsContact O-N 3.08Å; E52-C56 PolarHBondContact O-N 2.65Å; E52-N307 VanDerWaalsContact OE1-CA 3.29Å; E52-N307 WeakPolarHBondContact OE1-CA 3.43Å; E52-T358 WeakPolarHBondContact OE1-CB 3.37Å; E52-T358 PolarHBondContact OE1-OG1 3.23Å
53	L	97.2	Very high	96.1	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-31.8	178.1	-65.6	-178.2	0	0	0	112.7	V49 W50 C56 V57 A309 P311 I314 T358	V49-L53 HydrophobicContact CG2-CD1 3.84Å; V49-L53 HydrophobicContact CG2-CG 4.39Å; V49-L53 WeakPolarHBondContact O-CG 3.39Å; V49-L53 PolarHBondContact O-N 2.94Å; W50-L53 HydrophobicContact CD2-CD1 4.21Å; W50-L53 HydrophobicContact CE3-CB 4.32Å; W50-L53 HydrophobicContact CE3-CD1 3.66Å; W50-L53 HydrophobicContact CH2-CD1 3.82Å; W50-L53 HydrophobicContact CZ2-CD1 4.46Å; W50-L53 HydrophobicContact CZ3-CD1 3.4Å; W50-L53 VanDerWaalsContact CZ3-CD1 3.4Å; W50-L53 PolarHBondContact O-N 3.45Å; L53-C56 VanDerWaalsContact O-CB 3.28Å; L53-C56 WeakPolarHBondContact O-CB 3.48Å; L53-C56 PolarHBondContact O-N 3.14Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 3.41Å; L53-A309 HydrophobicContact CD1-CB 4.26Å; L53-A309 HydrophobicContact CD2-CB 3.72Å; L53-A309 HydrophobicContact CG-CB 4.12Å; L53-P311 HydrophobicContact CD2-CB 3.91Å; L53-I314 HydrophobicContact CB-CG2 4.22Å; L53-T358 HydrophobicContact CD2-CG2 3.82Å
54	F	97.4	Very high	96	Very high	3 Å²	3	32 Å²	32	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-75.9	-23.1	174.9	-76.1	-52.5	0	0	0	114.2	L43 L44 P45 W50 P51 E52 C56 V57 K58 L101 G103 I314	L43-F54 HydrophobicContact CD1-CD1 3.5Å; L43-F54 VanDerWaalsContact CD1-CD1 3.5Å; L43-F54 HydrophobicContact CD1-CD2 4.45Å; L43-F54 HydrophobicContact CD1-CE1 3.66Å; L43-F54 HydrophobicContact CD1-CG 3.93Å; L43-F54 HydrophobicContact CD1-CZ 4.17Å; L43-F54 HydrophobicContact CD2-CB 4.44Å; L44-F54 WeakPolarHBondContact O-CE2 3.36Å; P45-F54 HydrophobicContact CB-CD2 4.3Å; P45-F54 WeakPolarHBondContact O-CE2 3.49Å; W50-F54 HydrophobicContact CB-CE2 4.36Å; W50-F54 WeakPolarHBondContact O-CD2 3.31Å; W50-F54 PolarHBondContact O-N 3.23Å; P51-F54 PolarHBondContact O-N 3.26Å; E52-F54 VanDerWaalsContact C-N 3.26Å; E52-F54 PolarHBondContact O-N 3.1Å; F54-C56 VanDerWaalsContact C-N 3.3Å; F54-V57 HydrophobicContact CD1-CB 4.29Å; F54-V57 HydrophobicContact CD1-CG2 4.15Å; F54-V57 PolarHBondContact O-N 3.5Å; F54-K58 WeakPolarHBondContact O-CB 3.47Å; F54-K58 WeakPolarHBondContact O-CE 3.39Å; F54-K58 VanDerWaalsContact O-CG 3.3Å; F54-K58 WeakPolarHBondContact O-CG 3.21Å; F54-K58 PolarHBondContact O-N 3.14Å; F54-L101 HydrophobicContact CD1-CD2 4.09Å; F54-L101 HydrophobicContact CE1-CD2 3.53Å; F54-L101 HydrophobicContact CE1-CG 3.63Å; F54-L101 HydrophobicContact CZ-CG 4.22Å; F54-G103 VanDerWaalsContact CE2-N 3.32Å; F54-G103 VanDerWaalsContact CZ-N 3.33Å; F54-I314 HydrophobicContact CD1-CG1 4.31Å; F54-I314 HydrophobicContact CE1-CD1 3.71Å; F54-I314 HydrophobicContact CE1-CG1 3.59Å; F54-I314 HydrophobicContact CZ-CD1 3.88Å; F54-I314 HydrophobicContact CZ-CG1 4.13Å
55	V	97.2	Very high	96	Very high	82 Å²	82	38.2 Å²	38.2	50%	0.497	21%	0.205	S	C	.	.	H	α-helix	trans	-62.1	-44.1	164.8	177.1	0	0	0	0	109.4	P51 E52 V57 K58 S59	P51-V55 PolarHBondContact O-N 3.31Å; E52-V55 WeakPolarHBondContact O-CB 3.28Å; E52-V55 PolarHBondContact O-N 2.89Å; E52-V55 VanDerWaalsContact O-N 3.08Å; V55-V57 PolarHBondContact O-N 2.93Å; V55-K58 PolarHBondContact O-N 3.45Å; V55-S59 PolarHBondContact O-N 3.17Å; V55-S59 PolarHBondContact O-OG 2.85Å
56	C	97.3	Very high	96.1	Very high	12 Å²	12	38.2 Å²	38.2	8%	0.081	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-47	175.9	-57.3	0	0	0	0	112.3	E52 L53 F54 K58 S59 V60 P311 T358 T362	E52-C56 PolarHBondContact O-N 2.65Å; L53-C56 VanDerWaalsContact O-CB 3.28Å; L53-C56 WeakPolarHBondContact O-CB 3.48Å; L53-C56 PolarHBondContact O-N 3.14Å; F54-C56 VanDerWaalsContact C-N 3.3Å; C56-K58 PolarHBondContact O-N 3.44Å; C56-S59 PolarHBondContact O-N 3.17Å; C56-V60 WeakPolarHBondContact O-CG2 3.38Å; C56-V60 PolarHBondContact O-N 2.82Å; C56-P311 HydrophobicContact CB-CB 4.41Å; C56-T358 VanDerWaalsContact SG-CG2 3.5Å; C56-T362 HydrophobicContact CB-CG2 3.95Å; C56-T362 WeakPolarHBondContact CB-OG1 3.38Å; C56-T362 PolarHBondContact SG-OG1 3.01Å
57	V	98.3	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-46.4	176.5	176.4	0	0	0	0	111.4	L53 F54 V55 S59 V60 F61 F70 L101 I314 L315	L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 3.41Å; F54-V57 HydrophobicContact CD1-CB 4.29Å; F54-V57 HydrophobicContact CD1-CG2 4.15Å; F54-V57 PolarHBondContact O-N 3.5Å; V55-V57 PolarHBondContact O-N 2.93Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.42Å; V57-V60 PolarHBondContact O-N 3.21Å; V57-F61 HydrophobicContact CG1-CD2 3.86Å; V57-F61 HydrophobicContact CG1-CE2 3.79Å; V57-F61 HydrophobicContact CG1-CZ 4.44Å; V57-F61 WeakPolarHBondContact O-CB 3.4Å; V57-F61 VanDerWaalsContact O-CD2 3.27Å; V57-F61 WeakPolarHBondContact O-CD2 3.33Å; V57-F61 PolarHBondContact O-N 3.37Å; V57-F70 HydrophobicContact CG1-CZ 4.16Å; V57-L101 HydrophobicContact CG1-CD2 3.9Å; V57-I314 HydrophobicContact CG2-CB 4.49Å; V57-I314 HydrophobicContact CG2-CG1 3.98Å; V57-I314 HydrophobicContact CG2-CG2 3.85Å; V57-L315 HydrophobicContact CG2-CD2 4.1Å
58	K	98.3	Very high	96.6	Very high	72 Å²	72	37.7 Å²	37.7	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-60	-41.8	177.7	-76	-175.1	-76.5	-168.7	0	111.8	L43 F54 V55 C56 F61 K62 F70 E72	L43-K58 HydrophobicContact CD2-CD 4.21Å; F54-K58 WeakPolarHBondContact O-CB 3.47Å; F54-K58 WeakPolarHBondContact O-CE 3.39Å; F54-K58 VanDerWaalsContact O-CG 3.3Å; F54-K58 WeakPolarHBondContact O-CG 3.21Å; F54-K58 PolarHBondContact O-N 3.14Å; V55-K58 PolarHBondContact O-N 3.45Å; C56-K58 PolarHBondContact O-N 3.44Å; K58-F61 PolarHBondContact O-N 3.33Å; K58-K62 WeakPolarHBondContact O-CB 3.4Å; K58-K62 PolarHBondContact O-N 3.33Å; K58-F70 HydrophobicContact CD-CD2 4.44Å; K58-F70 HydrophobicContact CG-CD2 3.81Å; K58-F70 HydrophobicContact CG-CE2 4.01Å; K58-E72 IonicContact NZ-OE2 3.5Å; K58-E72 PolarHBondContact NZ-OE2 3.3Å
59	S	97.9	Very high	96.9	Very high	48 Å²	48	42.3 Å²	42.3	34%	0.336	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-46.1	175.9	-64	0	0	0	0	112.1	V55 C56 V57 F61 K62 E63	V55-S59 PolarHBondContact O-N 3.17Å; V55-S59 PolarHBondContact O-OG 2.85Å; C56-S59 PolarHBondContact O-N 3.17Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.42Å; S59-F61 PolarHBondContact O-N 2.91Å; S59-K62 PolarHBondContact O-N 3.48Å; S59-E63 WeakPolarHBondContact O-CB 3.48Å; S59-E63 PolarHBondContact O-N 3.27Å
60	V	98	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-44	176.4	172.4	0	0	0	0	111.1	C56 V57 K62 E63 F64 L315 I334 T362 V365 L366	C56-V60 WeakPolarHBondContact O-CG2 3.38Å; C56-V60 PolarHBondContact O-N 2.82Å; V57-V60 PolarHBondContact O-N 3.21Å; V60-K62 VanDerWaalsContact C-N 3.32Å; V60-K62 PolarHBondContact O-N 3.12Å; V60-E63 PolarHBondContact O-N 3.08Å; V60-F64 HydrophobicContact CG1-CD2 3.87Å; V60-F64 HydrophobicContact CG1-CE2 4.14Å; V60-F64 WeakPolarHBondContact O-CB 3.41Å; V60-F64 VanDerWaalsContact O-CD2 3.28Å; V60-F64 WeakPolarHBondContact O-CD2 3.47Å; V60-F64 PolarHBondContact O-N 3.44Å; V60-L315 HydrophobicContact CB-CD2 4.15Å; V60-L315 HydrophobicContact CG1-CD2 4.26Å; V60-L315 HydrophobicContact CG2-CD2 3.97Å; V60-I334 HydrophobicContact CG1-CD1 4.05Å; V60-I334 HydrophobicContact CG1-CG1 4.01Å; V60-I334 HydrophobicContact CG1-CG2 4.01Å; V60-T362 HydrophobicContact CG2-CG2 4.35Å; V60-V365 HydrophobicContact CG2-CG1 4.19Å; V60-L366 HydrophobicContact CB-CD2 4.3Å; V60-L366 HydrophobicContact CG2-CD2 3.82Å
61	F	97.8	Very high	97.2	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-39.9	179.2	-87.5	-131.7	0	0	0	112.2	V57 K58 S59 N65 V66 V68 F70 L322 I334	V57-F61 HydrophobicContact CG1-CD2 3.86Å; V57-F61 HydrophobicContact CG1-CE2 3.79Å; V57-F61 HydrophobicContact CG1-CZ 4.44Å; V57-F61 WeakPolarHBondContact O-CB 3.4Å; V57-F61 VanDerWaalsContact O-CD2 3.27Å; V57-F61 WeakPolarHBondContact O-CD2 3.33Å; V57-F61 PolarHBondContact O-N 3.37Å; K58-F61 PolarHBondContact O-N 3.33Å; S59-F61 PolarHBondContact O-N 2.91Å; F61-N65 PolarHBondContact O-N 3.32Å; F61-V66 HydrophobicContact CB-CB 4.22Å; F61-V66 HydrophobicContact CB-CG2 4.3Å; F61-V66 HydrophobicContact CD1-CB 3.94Å; F61-V66 HydrophobicContact CD1-CG1 3.74Å; F61-V66 HydrophobicContact CD1-CG2 4.34Å; F61-V66 HydrophobicContact CE1-CG1 3.91Å; F61-V66 HydrophobicContact CG-CB 4.15Å; F61-V66 HydrophobicContact CG-CG1 4.37Å; F61-V66 HydrophobicContact CG-CG2 4.16Å; F61-V66 WeakPolarHBondContact O-CB 3.49Å; F61-V66 PolarHBondContact O-N 3.42Å; F61-V68 HydrophobicContact CD1-CB 4Å; F61-V68 HydrophobicContact CD1-CG1 4.13Å; F61-V68 HydrophobicContact CE1-CB 4.08Å; F61-V68 HydrophobicContact CE1-CG1 4.06Å; F61-V68 HydrophobicContact CE1-CG2 4.28Å; F61-F70 HydrophobicContact CB-CE2 4.3Å; F61-F70 AromaticContact CD1-CE2 3.71Å; F61-F70 HydrophobicContact CD1-CE2 3.71Å; F61-F70 AromaticContact CD1-CZ 3.51Å; F61-F70 HydrophobicContact CD1-CZ 3.51Å; F61-F70 HydrophobicContact CE1-CE1 4.35Å; F61-F70 HydrophobicContact CE1-CE2 4.24Å; F61-F70 AromaticContact CE1-CZ 3.55Å; F61-F70 HydrophobicContact CE1-CZ 3.55Å; F61-F70 HydrophobicContact CG-CE2 4.04Å; F61-F70 HydrophobicContact CG-CZ 4.08Å; F61-F70 HydrophobicContact CZ-CZ 4.16Å; F61-L322 HydrophobicContact CE1-CD1 4.46Å; F61-L322 HydrophobicContact CE1-CD2 3.89Å; F61-L322 HydrophobicContact CE1-CG 4.38Å; F61-L322 HydrophobicContact CE2-CD1 4.41Å; F61-L322 HydrophobicContact CZ-CD1 3.96Å; F61-L322 HydrophobicContact CZ-CD2 4.04Å; F61-L322 HydrophobicContact CZ-CG 4Å; F61-I334 HydrophobicContact CD2-CD1 4.18Å; F61-I334 HydrophobicContact CE2-CD1 4.02Å
62	K	97.1	Very high	97.3	Very high	169 Å²	169	47.5 Å²	47.5	74%	0.735	24%	0.236	S	C	*	.	H	α-helix	trans	-64.3	-50.3	176.2	-177.3	-178.6	175.2	-173.5	0	111.4	K58 S59 V60 F64 N65	K58-K62 WeakPolarHBondContact O-CB 3.4Å; K58-K62 PolarHBondContact O-N 3.33Å; S59-K62 PolarHBondContact O-N 3.48Å; V60-K62 VanDerWaalsContact C-N 3.32Å; V60-K62 PolarHBondContact O-N 3.12Å; K62-F64 PolarHBondContact O-N 3.25Å; K62-N65 PolarHBondContact O-N 3.24Å; K62-N65 VanDerWaalsContact O-N 3.08Å
63	E	97.5	Very high	97.3	Very high	70 Å²	70	46.3 Å²	46.3	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-65.8	-39.3	-175.9	-163.7	59.9	-128.4	0	0	112.4	S59 V60 N65 L366 A369 H370	S59-E63 WeakPolarHBondContact O-CB 3.48Å; S59-E63 PolarHBondContact O-N 3.27Å; V60-E63 PolarHBondContact O-N 3.08Å; E63-N65 PolarHBondContact O-N 3.08Å; E63-N65 PolarHBondContact O-ND2 2.9Å; E63-L366 HydrophobicContact CB-CD2 3.61Å; E63-L366 HydrophobicContact CG-CB 4.27Å; E63-L366 HydrophobicContact CG-CD2 4.04Å; E63-A369 HydrophobicContact CG-CB 3.91Å; E63-H370 IonicContact OE1-CE1 3.01Å; E63-H370 PolarHBondContact OE1-CE1 2.79Å; E63-H370 IonicContact OE1-NE2 3.3Å; E63-H370 PolarHBondContact OE1-NE2 3.06Å
64	F	96.8	Very high	97	Very high	14 Å²	14	51.7 Å²	51.7	6%	0.061	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.9	175.9	-77	-103.1	0	0	0	113.5	V60 K62 V66 K333 I334 A337 A369	V60-F64 HydrophobicContact CG1-CD2 3.87Å; V60-F64 HydrophobicContact CG1-CE2 4.14Å; V60-F64 WeakPolarHBondContact O-CB 3.41Å; V60-F64 VanDerWaalsContact O-CD2 3.28Å; V60-F64 WeakPolarHBondContact O-CD2 3.47Å; V60-F64 PolarHBondContact O-N 3.44Å; K62-F64 PolarHBondContact O-N 3.25Å; F64-V66 HydrophobicContact CB-CG2 4Å; F64-V66 PolarHBondContact O-N 3.35Å; F64-K333 HydrophobicContact CD1-CB 3.92Å; F64-K333 HydrophobicContact CE1-CB 4.04Å; F64-I334 HydrophobicContact CB-CG1 4.33Å; F64-I334 HydrophobicContact CD1-CG1 4.06Å; F64-I334 HydrophobicContact CD2-CG1 4.43Å; F64-I334 HydrophobicContact CG-CG1 4.02Å; F64-A337 HydrophobicContact CE1-CB 4.26Å; F64-A337 HydrophobicContact CZ-CB 3.72Å; F64-A369 HydrophobicContact CD1-CB 4.36Å; F64-A369 HydrophobicContact CD2-CB 3.95Å; F64-A369 HydrophobicContact CE1-CB 4.11Å; F64-A369 HydrophobicContact CE2-CB 3.69Å; F64-A369 HydrophobicContact CG-CB 4.29Å; F64-A369 HydrophobicContact CZ-CB 3.77Å
65	N	95.7	Very high	96.5	Very high	132 Å²	132	51.7 Å²	51.7	71%	0.706	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.4	-179.2	-64.3	-73.6	0	0	0	113.3	F61 K62 E63 F330	F61-N65 PolarHBondContact O-N 3.32Å; K62-N65 PolarHBondContact O-N 3.24Å; K62-N65 VanDerWaalsContact O-N 3.08Å; E63-N65 PolarHBondContact O-N 3.08Å; E63-N65 PolarHBondContact O-ND2 2.9Å; N65-F330 VanDerWaalsContact O-CE1 3.31Å; N65-F330 WeakPolarHBondContact O-CE1 2.83Å
66	V	97.2	Very high	95.9	Very high	11 Å²	11	48 Å²	48	7%	0.067	24%	0.24	C	C	.	.			trans	-67.6	129.9	-178.5	-177.4	0	0	0	0	109.5	F61 F64 V68 L322 F330 I334	F61-V66 HydrophobicContact CB-CB 4.22Å; F61-V66 HydrophobicContact CB-CG2 4.3Å; F61-V66 HydrophobicContact CD1-CB 3.94Å; F61-V66 HydrophobicContact CD1-CG1 3.74Å; F61-V66 HydrophobicContact CD1-CG2 4.34Å; F61-V66 HydrophobicContact CE1-CG1 3.91Å; F61-V66 HydrophobicContact CG-CB 4.15Å; F61-V66 HydrophobicContact CG-CG1 4.37Å; F61-V66 HydrophobicContact CG-CG2 4.16Å; F61-V66 WeakPolarHBondContact O-CB 3.49Å; F61-V66 PolarHBondContact O-N 3.42Å; F64-V66 HydrophobicContact CB-CG2 4Å; F64-V66 PolarHBondContact O-N 3.35Å; V66-V68 HydrophobicContact CG1-CB 4.04Å; V66-V68 HydrophobicContact CG1-CG2 3.85Å; V66-V68 PolarHBondContact O-N 2.94Å; V66-L322 HydrophobicContact CG1-CD1 4.12Å; V66-L322 HydrophobicContact CG1-CD2 3.59Å; V66-F330 HydrophobicContact CB-CD1 4.4Å; V66-F330 HydrophobicContact CG2-CB 4.39Å; V66-F330 HydrophobicContact CG2-CD1 4.03Å; V66-I334 HydrophobicContact CG2-CD1 3.94Å
67	P	97.1	Very high	95	Very high	13 Å²	13	50.5 Å²	50.5	8%	0.084	25%	0.249	C	C	.	.	S	Bend	trans	-79.3	54.5	-178.7	33.8	-37.1	0	0	0	111.4	E36 K38 K39 L327 F330	E36-P67 HydrophobicContact CB-CB 4.39Å; K38-P67 WeakPolarHBondContact CA-O 3.46Å; K39-P67 PolarHBondContact N-O 3.44Å; P67-L327 HydrophobicContact CG-CD1 3.87Å; P67-L327 HydrophobicContact CG-CD2 3.86Å; P67-F330 VanDerWaalsContact CD-CE2 3.49Å; P67-F330 VanDerWaalsContact CD-CZ 3.46Å; P67-F330 HydrophobicContact CG-CD2 4.39Å; P67-F330 HydrophobicContact CG-CE2 3.85Å; P67-F330 HydrophobicContact CG-CZ 4.13Å
68	V	97.9	Very high	93.9	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.085	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136	177.7	166.4	0	0	0	0	109.6	K39 V41 F61 V66 F70 L322 I325 L327	K39-V68 VanDerWaalsContact O-CA 3.31Å; K39-V68 WeakPolarHBondContact O-CA 3.37Å; V41-V68 HydrophobicContact CB-CG1 3.98Å; V41-V68 HydrophobicContact CG2-CG1 3.63Å; V41-V68 HydrophobicContact CG2-CG2 4.33Å; F61-V68 HydrophobicContact CD1-CB 4Å; F61-V68 HydrophobicContact CD1-CG1 4.13Å; F61-V68 HydrophobicContact CE1-CB 4.08Å; F61-V68 HydrophobicContact CE1-CG1 4.06Å; F61-V68 HydrophobicContact CE1-CG2 4.28Å; V66-V68 HydrophobicContact CG1-CB 4.04Å; V66-V68 HydrophobicContact CG1-CG2 3.85Å; V66-V68 PolarHBondContact O-N 2.94Å; V68-F70 HydrophobicContact CG1-CD1 4.26Å; V68-F70 HydrophobicContact CG1-CE1 4.02Å; V68-F70 HydrophobicContact CG1-CZ 4.16Å; V68-L322 HydrophobicContact CG2-CD2 3.87Å; V68-I325 HydrophobicContact CG2-CD1 3.9Å; V68-L327 HydrophobicContact CG2-CD1 3.93Å
69	Q	97.2	Very high	92.7	Very high	114 Å²	114	52.1 Å²	52.1	53%	0.533	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.6	168.3	178.3	173.6	-19.6	0	0	108.9	K38 K39 T40 V41	K38-Q69 HydrophobicContact CB-CB 4.46Å; K39-Q69 PolarHBondContact O-N 3.01Å; T40-Q69 CarbonylContact C-O 3.51Å; T40-Q69 VanDerWaalsContact CA-O 3.31Å; T40-Q69 WeakPolarHBondContact CA-O 3.42Å; V41-Q69 PolarHBondContact N-O 3.49Å
70	F	98.2	Very high	91.1	Very high	39 Å²	39	51.4 Å²	51.4	17%	0.171	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.5	175.7	-67.9	-64.4	0	0	0	110.9	V41 L43 V57 K58 F61 V68 L101	V41-F70 HydrophobicContact CB-CD1 4.09Å; V41-F70 HydrophobicContact CB-CE1 4.25Å; V41-F70 HydrophobicContact CG1-CD1 4.17Å; V41-F70 HydrophobicContact CG1-CE1 4.09Å; V41-F70 CarbonylContact O-C 3.49Å; V41-F70 WeakPolarHBondContact O-CA 3.4Å; L43-F70 HydrophobicContact CB-CB 4.04Å; L43-F70 HydrophobicContact CB-CD1 3.98Å; L43-F70 HydrophobicContact CB-CG 4.26Å; L43-F70 HydrophobicContact CD1-CD1 4.15Å; L43-F70 HydrophobicContact CD1-CE1 4.3Å; L43-F70 HydrophobicContact CD2-CB 4.22Å; L43-F70 HydrophobicContact CD2-CG 4.27Å; L43-F70 HydrophobicContact CG-CD1 4.47Å; V57-F70 HydrophobicContact CG1-CZ 4.16Å; K58-F70 HydrophobicContact CD-CD2 4.44Å; K58-F70 HydrophobicContact CG-CD2 3.81Å; K58-F70 HydrophobicContact CG-CE2 4.01Å; F61-F70 HydrophobicContact CB-CE2 4.3Å; F61-F70 AromaticContact CD1-CE2 3.71Å; F61-F70 HydrophobicContact CD1-CE2 3.71Å; F61-F70 AromaticContact CD1-CZ 3.51Å; F61-F70 HydrophobicContact CD1-CZ 3.51Å; F61-F70 HydrophobicContact CE1-CE1 4.35Å; F61-F70 HydrophobicContact CE1-CE2 4.24Å; F61-F70 AromaticContact CE1-CZ 3.55Å; F61-F70 HydrophobicContact CE1-CZ 3.55Å; F61-F70 HydrophobicContact CG-CE2 4.04Å; F61-F70 HydrophobicContact CG-CZ 4.08Å; F61-F70 HydrophobicContact CZ-CZ 4.16Å; V68-F70 HydrophobicContact CG1-CD1 4.26Å; V68-F70 HydrophobicContact CG1-CE1 4.02Å; V68-F70 HydrophobicContact CG1-CZ 4.16Å; F70-L101 HydrophobicContact CE1-CD2 4.34Å
71	E	97.8	Very high	89.5	Confident	52 Å²	52	58.5 Å²	58.5	24%	0.243	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	94.9	163.4	-174.1	-176.2	136.3	0	0	107.2	T40 V41 T42 L43 V73 S93 K96 N97	T40-E71 HydrophobicContact CG2-CB 3.83Å; V41-E71 PolarHBondContact O-N 2.64Å; T42-E71 WeakPolarHBondContact CA-O 3.16Å; L43-E71 PolarHBondContact N-O 3.07Å; E71-V73 HydrophobicContact CG-CG2 4.39Å; E71-V73 PolarHBondContact O-N 3Å; E71-S93 WeakPolarHBondContact OE1-CB 3.15Å; E71-S93 PolarHBondContact OE1-OG 3.09Å; E71-K96 IonicContact OE2-NZ 3.25Å; E71-K96 PolarHBondContact OE2-NZ 3.27Å; E71-N97 PolarHBondContact OE2-ND2 2.93Å
72	E	96.7	Very high	88.1	Confident	99 Å²	99	61.8 Å²	61.8	46%	0.463	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.9	-178.3	-168.5	166.5	161.8	0	0	110.4	L43 K58	L43-E72 HydrophobicContact CB-CB 4.49Å; L43-E72 HydrophobicContact CD2-CB 4.48Å; L43-E72 HydrophobicContact CD2-CG 4.23Å; L43-E72 WeakPolarHBondContact O-CA 3.29Å; K58-E72 IonicContact NZ-OE2 3.5Å; K58-E72 PolarHBondContact NZ-OE2 3.3Å
73	V	94.5	Very high	86.2	Confident	19 Å²	19	58.5 Å²	58.5	12%	0.115	31%	0.311	C	S	.	.			trans	-125.7	120.8	178.3	180	0	0	0	0	108.2	T42 L43 L44 P45 E71 F75 N89 A90	T42-V73 HydrophobicContact CG2-CG2 4.42Å; L43-V73 PolarHBondContact O-N 3.48Å; L44-V73 HydrophobicContact CD2-CB 3.88Å; L44-V73 HydrophobicContact CD2-CG1 4.36Å; L44-V73 WeakPolarHBondContact CD2-O 3.42Å; P45-V73 WeakPolarHBondContact CD-O 3.27Å; E71-V73 HydrophobicContact CG-CG2 4.39Å; E71-V73 PolarHBondContact O-N 3Å; V73-F75 PolarHBondContact O-N 2.97Å; V73-N89 HydrophobicContact CG1-CB 3.79Å; V73-A90 HydrophobicContact CG1-CB 4.4Å
74	N	90.5	Very high	84.4	Confident	116 Å²	116	61.4 Å²	61.4	62%	0.62	33%	0.329	S	S	*	.			trans	-56.2	126.7	176.9	-69	-19.6	0	0	0	110.1
75	F	88.1	Confident	83.3	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.009	33%	0.33	C	S	.	.			trans	-155.4	90.2	179.4	-171.6	-100.2	0	0	0	108.9	L44 G46 V73 D79 L87 A90 K102 V105 L117 M121	L44-F75 HydrophobicContact CB-CB 4.07Å; L44-F75 HydrophobicContact CB-CD1 4.43Å; L44-F75 HydrophobicContact CD1-CD1 4.34Å; L44-F75 HydrophobicContact CD1-CG 4.44Å; L44-F75 HydrophobicContact CD2-CB 3.88Å; L44-F75 HydrophobicContact CD2-CG 4.45Å; L44-F75 HydrophobicContact CG-CB 4.39Å; G46-F75 VanDerWaalsContact CA-O 3.27Å; G46-F75 WeakPolarHBondContact CA-O 3.35Å; G46-F75 PolarHBondContact N-O 2.72Å; V73-F75 PolarHBondContact O-N 2.97Å; F75-D79 WeakPolarHBondContact CA-OD2 3.42Å; F75-D79 PolarHBondContact N-OD2 3.39Å; F75-L87 HydrophobicContact CE2-CD1 4.05Å; F75-A90 HydrophobicContact CB-CB 4.4Å; F75-A90 HydrophobicContact CD2-CB 3.5Å; F75-A90 HydrophobicContact CE2-CB 4.01Å; F75-A90 HydrophobicContact CG-CB 4.13Å; F75-K102 HydrophobicContact CE1-CD 4.44Å; F75-V105 HydrophobicContact CD1-CG2 3.44Å; F75-V105 VanDerWaalsContact CD1-CG2 3.44Å; F75-V105 HydrophobicContact CE1-CG2 3.51Å; F75-V105 HydrophobicContact CG-CG2 4.5Å; F75-V105 WeakPolarHBondContact O-CG2 2.93Å; F75-L117 HydrophobicContact CD1-CD2 4.49Å; F75-L117 HydrophobicContact CD2-CD2 4.02Å; F75-L117 HydrophobicContact CD2-CG 4.44Å; F75-L117 HydrophobicContact CE1-CD2 4.15Å; F75-L117 HydrophobicContact CE1-CG 4.28Å; F75-L117 HydrophobicContact CE2-CD1 4.1Å; F75-L117 HydrophobicContact CE2-CD2 3.65Å; F75-L117 HydrophobicContact CE2-CG 3.6Å; F75-L117 HydrophobicContact CG-CD2 4.44Å; F75-L117 HydrophobicContact CZ-CB 4.41Å; F75-L117 HydrophobicContact CZ-CD1 4.41Å; F75-L117 HydrophobicContact CZ-CD2 3.74Å; F75-L117 HydrophobicContact CZ-CG 3.51Å; F75-M121 HydrophobicContact CD1-SD 4.49Å; F75-M121 HydrophobicContact CE1-SD 3.76Å; F75-M121 HydrophobicContact CE2-CB 4.42Å; F75-M121 HydrophobicContact CE2-SD 4.24Å; F75-M121 HydrophobicContact CZ-CB 3.83Å; F75-M121 HydrophobicContact CZ-CG 4.19Å; F75-M121 HydrophobicContact CZ-SD 3.59Å; F75-M121 VanDerWaalsContact CZ-SD 3.59Å
76	G	83.9	Confident	82.8	Confident	5 Å²	5	55.1 Å²	55.1	5%	0.052	30%	0.299	C	S	.	.	S	Bend	trans	-143.6	-177.4	-178.5	0	0	0	0	0	111.9	D47 S78 D79 L117	D47-G76 WeakPolarHBondContact OD1-CA 3.46Å; G76-S78 PolarHBondContact O-N 3.37Å; G76-D79 PolarHBondContact N-OD2 3.04Å; G76-D79 WeakPolarHBondContact O-CB 3.5Å; G76-D79 PolarHBondContact O-N 3.11Å; G76-L117 VanDerWaalsContact O-CD2 3.28Å; G76-L117 WeakPolarHBondContact O-CD2 3.44Å
77	F	78.1	Confident	82.4	Confident	64 Å²	64	55.7 Å²	55.7	28%	0.281	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-58.3	-35	-177.8	173.4	-104.9	0	0	0	112.5	D47 D79 N80 R106 P108 T111	D47-F77 VanDerWaalsContact CG-N 3.26Å; D47-F77 PolarHBondContact OD1-N 2.79Å; D47-F77 WeakPolarHBondContact OD2-CB 3.37Å; D47-F77 PolarHBondContact OD2-N 2.88Å; F77-D79 PolarHBondContact O-N 2.9Å; F77-N80 VanDerWaalsContact CD2-ND2 3.27Å; F77-N80 WeakPolarHBondContact CD2-ND2 3.33Å; F77-N80 VanDerWaalsContact O-CB 3.31Å; F77-N80 WeakPolarHBondContact O-CB 3.28Å; F77-N80 PolarHBondContact O-N 3.2Å; F77-N80 VanDerWaalsContact O-N 3.11Å; F77-N80 PolarHBondContact O-ND2 3.01Å; F77-R106 HydrophobicContact CB-CB 4.33Å; F77-P108 VanDerWaalsContact CD2-CD 3.41Å; F77-P108 HydrophobicContact CD2-CG 3.78Å; F77-P108 HydrophobicContact CE1-CG 4.24Å; F77-P108 HydrophobicContact CE2-CG 3.32Å; F77-P108 HydrophobicContact CG-CG 4.44Å; F77-P108 HydrophobicContact CZ-CG 3.58Å; F77-T111 HydrophobicContact CE2-CG2 4.03Å; F77-T111 HydrophobicContact CZ-CG2 4.05Å
78	S	74.8	Confident	82.1	Confident	80 Å²	80	62.1 Å²	62.1	56%	0.559	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-58.3	-29.1	176.2	50.9	0	0	0	0	113	G76 N80 L81	G76-S78 PolarHBondContact O-N 3.37Å; S78-N80 PolarHBondContact O-N 3.28Å; S78-L81 PolarHBondContact O-N 2.98Å
79	D	73.1	Confident	81.9	Confident	27 Å²	27	65.4 Å²	65.4	14%	0.144	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-77.8	-6.4	-178.7	-59.2	-46	0	0	0	113	F75 G76 F77 L81 D82 L117	F75-D79 WeakPolarHBondContact CA-OD2 3.42Å; F75-D79 PolarHBondContact N-OD2 3.39Å; G76-D79 PolarHBondContact N-OD2 3.04Å; G76-D79 WeakPolarHBondContact O-CB 3.5Å; G76-D79 PolarHBondContact O-N 3.11Å; F77-D79 PolarHBondContact O-N 2.9Å; D79-L81 PolarHBondContact O-N 2.85Å; D79-D82 PolarHBondContact O-N 3.39Å; D79-L117 HydrophobicContact CB-CD2 4.3Å
80	N	65	Low	81.8	Confident	32 Å²	32	60 Å²	60	17%	0.171	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-63	-26.3	170.5	-78.8	-48.3	0	0	0	112.6	F77 S78 L117	F77-N80 VanDerWaalsContact CD2-ND2 3.27Å; F77-N80 WeakPolarHBondContact CD2-ND2 3.33Å; F77-N80 VanDerWaalsContact O-CB 3.31Å; F77-N80 WeakPolarHBondContact O-CB 3.28Å; F77-N80 PolarHBondContact O-N 3.2Å; F77-N80 VanDerWaalsContact O-N 3.11Å; F77-N80 PolarHBondContact O-ND2 3.01Å; S78-N80 PolarHBondContact O-N 3.28Å; N80-L117 VanDerWaalsContact OD1-CB 3.24Å; N80-L117 WeakPolarHBondContact OD1-CB 3.45Å
81	L	64.2	Low	81.6	Confident	149 Å²	149	59.1 Å²	59.1	78%	0.78	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-87.1	-15.2	-175.1	-61.3	175.3	0	0	0	113.1	S78 D79 P83	S78-L81 PolarHBondContact O-N 2.98Å; D79-L81 PolarHBondContact O-N 2.85Å; L81-P83 WeakPolarHBondContact O-CD 3.34Å
82	D	68.6	Low	81.6	Confident	77 Å²	77	59.8 Å²	59.8	41%	0.412	32%	0.32	S	S	.	.			trans	-100.8	98.8	176.5	-174.5	-7.5	0	0	0	109.8	D79 N84 G85	D79-D82 PolarHBondContact O-N 3.39Å; D82-N84 PolarHBondContact O-N 3.35Å; D82-N84 VanDerWaalsContact O-N 3.08Å; D82-N84 PolarHBondContact OD1-N 3.09Å; D82-G85 PolarHBondContact OD1-N 2.83Å; D82-G85 VanDerWaalsContact OD2-CA 3.26Å; D82-G85 WeakPolarHBondContact OD2-CA 3.41Å; D82-G85 PolarHBondContact OD2-N 3.06Å
83	P	56.6	Low	81.6	Confident	99 Å²	99	55.2 Å²	55.2	64%	0.643	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18	178.5	19.1	-28.4	0	0	0	114	L81	L81-P83 WeakPolarHBondContact O-CD 3.34Å
84	N	60	Low	81.8	Confident	131 Å²	131	54.3 Å²	54.3	70%	0.701	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-11.1	-173.3	-67.7	-30.3	0	0	0	114.8	D82	D82-N84 PolarHBondContact O-N 3.35Å; D82-N84 VanDerWaalsContact O-N 3.08Å; D82-N84 PolarHBondContact OD1-N 3.09Å
85	G	75.3	Confident	82.1	Confident	9 Å²	9	51.3 Å²	51.3	9%	0.093	28%	0.279	C	S	.	.	S	Bend	trans	-99.2	-87.7	-169.7	0	0	0	0	0	114.7	D82 L87 Y88 N89	D82-G85 PolarHBondContact OD1-N 2.83Å; D82-G85 VanDerWaalsContact OD2-CA 3.26Å; D82-G85 WeakPolarHBondContact OD2-CA 3.41Å; D82-G85 PolarHBondContact OD2-N 3.06Å; G85-L87 PolarHBondContact O-N 3Å; G85-Y88 PolarHBondContact O-N 3.28Å; G85-N89 VanDerWaalsContact O-CB 3.3Å; G85-N89 WeakPolarHBondContact O-CB 3.26Å; G85-N89 PolarHBondContact O-N 3.1Å; G85-N89 PolarHBondContact O-ND2 2.96Å; G85-N89 VanDerWaalsContact O-ND2 3.16Å
86	G	84.5	Confident	82.6	Confident	5 Å²	5	58 Å²	58	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-45.5	-161	0	0	0	0	0	114.8	A90	G86-A90 WeakPolarHBondContact O-CB 3.31Å; G86-A90 PolarHBondContact O-N 3.16Å
87	L	88.9	Confident	83.2	Confident	24 Å²	24	59 Å²	59	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-46.5	177.8	178.2	64.3	0	0	0	111.8	F75 G85 A90 V91 L117 R120 M121	F75-L87 HydrophobicContact CE2-CD1 4.05Å; G85-L87 PolarHBondContact O-N 3Å; L87-A90 PolarHBondContact O-N 3.38Å; L87-V91 HydrophobicContact CD1-CG2 3.89Å; L87-V91 HydrophobicContact CG-CG2 4.32Å; L87-V91 WeakPolarHBondContact O-CB 3.35Å; L87-V91 VanDerWaalsContact O-CG2 3.23Å; L87-V91 WeakPolarHBondContact O-CG2 3.42Å; L87-V91 PolarHBondContact O-N 3.5Å; L87-L117 HydrophobicContact CB-CD1 4.06Å; L87-L117 HydrophobicContact CD1-CD1 4.49Å; L87-R120 HydrophobicContact CD1-CB 4.36Å; L87-R120 HydrophobicContact CD2-CB 3.67Å; L87-M121 HydrophobicContact CD1-CB 3.76Å; L87-M121 HydrophobicContact CD1-CG 4.46Å
88	Y	90.9	Very high	84.2	Confident	147 Å²	147	60 Å²	60	58%	0.576	32%	0.317	S	S	*	.	H	α-helix	trans	-61.9	-47.6	-179.3	177.1	-104.2	0	0	0	110.9	G85 A90 V91 N92	G85-Y88 PolarHBondContact O-N 3.28Å; Y88-A90 PolarHBondContact O-N 3.23Å; Y88-V91 PolarHBondContact O-N 3.06Å; Y88-N92 VanDerWaalsContact CD1-ND2 3.33Å; Y88-N92 WeakPolarHBondContact CD1-ND2 3.48Å; Y88-N92 WeakPolarHBondContact CE1-ND2 3.5Å; Y88-N92 VanDerWaalsContact CE2-ND2 3.34Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.26Å; Y88-N92 WeakPolarHBondContact O-CB 3.43Å; Y88-N92 PolarHBondContact O-N 2.96Å; Y88-N92 PolarHBondContact O-ND2 3.44Å; Y88-N92 PolarHBondContact OH-ND2 3.48Å
89	N	93	Very high	85.3	Confident	83 Å²	83	56.6 Å²	56.6	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-43.4	177.9	-68	-23	0	0	0	111.9	V73 G85 N92 S93	V73-N89 HydrophobicContact CG1-CB 3.79Å; G85-N89 VanDerWaalsContact O-CB 3.3Å; G85-N89 WeakPolarHBondContact O-CB 3.26Å; G85-N89 PolarHBondContact O-N 3.1Å; G85-N89 PolarHBondContact O-ND2 2.96Å; G85-N89 VanDerWaalsContact O-ND2 3.16Å; N89-N92 PolarHBondContact O-N 3.43Å; N89-S93 VanDerWaalsContact O-CB 3.3Å; N89-S93 WeakPolarHBondContact O-CB 3.32Å; N89-S93 PolarHBondContact O-N 3.05Å
90	A	94.4	Very high	86.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-50.2	176.9	0	0	0	0	0	111.1	L44 V73 F75 G86 L87 Y88 N92 S93 V94	L44-A90 HydrophobicContact CD1-CB 4.33Å; L44-A90 HydrophobicContact CD2-CB 3.8Å; V73-A90 HydrophobicContact CG1-CB 4.4Å; F75-A90 HydrophobicContact CB-CB 4.4Å; F75-A90 HydrophobicContact CD2-CB 3.5Å; F75-A90 HydrophobicContact CE2-CB 4.01Å; F75-A90 HydrophobicContact CG-CB 4.13Å; G86-A90 WeakPolarHBondContact O-CB 3.31Å; G86-A90 PolarHBondContact O-N 3.16Å; L87-A90 PolarHBondContact O-N 3.38Å; Y88-A90 PolarHBondContact O-N 3.23Å; A90-N92 VanDerWaalsContact C-N 3.34Å; A90-N92 PolarHBondContact O-N 2.61Å; A90-S93 PolarHBondContact O-N 2.85Å; A90-V94 VanDerWaalsContact O-CG2 3.31Å; A90-V94 WeakPolarHBondContact O-CG2 3.48Å; A90-V94 PolarHBondContact O-N 3.3Å
91	V	95.5	Very high	88.1	Confident	22 Å²	22	53.9 Å²	53.9	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-43.7	178.8	170.1	0	0	0	0	111.3	L87 Y88 V94 T95 A124 L125	L87-V91 HydrophobicContact CD1-CG2 3.89Å; L87-V91 HydrophobicContact CG-CG2 4.32Å; L87-V91 WeakPolarHBondContact O-CB 3.35Å; L87-V91 VanDerWaalsContact O-CG2 3.23Å; L87-V91 WeakPolarHBondContact O-CG2 3.42Å; L87-V91 PolarHBondContact O-N 3.5Å; Y88-V91 PolarHBondContact O-N 3.06Å; V91-V94 PolarHBondContact O-N 3.07Å; V91-T95 VanDerWaalsContact O-CB 3.27Å; V91-T95 WeakPolarHBondContact O-CB 3.27Å; V91-T95 PolarHBondContact O-N 3.03Å; V91-T95 PolarHBondContact O-OG1 3.33Å; V91-A124 HydrophobicContact CG1-CB 4.24Å; V91-A124 HydrophobicContact CG2-CB 3.67Å; V91-L125 HydrophobicContact CG1-CD2 3.96Å; V91-L125 HydrophobicContact CG1-CG 4.42Å; V91-L125 HydrophobicContact CG2-CG 4.34Å
92	N	96.2	Very high	89.7	Confident	65 Å²	65	47 Å²	47	35%	0.348	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-44.7	178	-74.1	-21.2	0	0	0	112.4	Y88 N89 A90 T95 K96	Y88-N92 VanDerWaalsContact CD1-ND2 3.33Å; Y88-N92 WeakPolarHBondContact CD1-ND2 3.48Å; Y88-N92 WeakPolarHBondContact CE1-ND2 3.5Å; Y88-N92 VanDerWaalsContact CE2-ND2 3.34Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.26Å; Y88-N92 WeakPolarHBondContact O-CB 3.43Å; Y88-N92 PolarHBondContact O-N 2.96Å; Y88-N92 PolarHBondContact O-ND2 3.44Å; Y88-N92 PolarHBondContact OH-ND2 3.48Å; N89-N92 PolarHBondContact O-N 3.43Å; A90-N92 VanDerWaalsContact C-N 3.34Å; A90-N92 PolarHBondContact O-N 2.61Å; N92-T95 PolarHBondContact O-N 2.81Å; N92-K96 WeakPolarHBondContact O-CB 3.36Å; N92-K96 PolarHBondContact O-N 3.38Å
93	S	97.3	Very high	91	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-46.1	178.2	-172.3	0	0	0	0	111.3	T42 E71 N89 A90 T95 K96 N97	T42-S93 VanDerWaalsContact CG2-OG 3.28Å; T42-S93 WeakPolarHBondContact CG2-OG 3.41Å; T42-S93 PolarHBondContact OG1-O 3.45Å; T42-S93 VanDerWaalsContact OG1-O 3.13Å; T42-S93 PolarHBondContact OG1-OG 3.3Å; E71-S93 WeakPolarHBondContact OE1-CB 3.15Å; E71-S93 PolarHBondContact OE1-OG 3.09Å; N89-S93 VanDerWaalsContact O-CB 3.3Å; N89-S93 WeakPolarHBondContact O-CB 3.32Å; N89-S93 PolarHBondContact O-N 3.05Å; A90-S93 PolarHBondContact O-N 2.85Å; S93-T95 VanDerWaalsContact C-N 3.32Å; S93-T95 PolarHBondContact O-N 3.19Å; S93-K96 PolarHBondContact O-N 3.39Å; S93-N97 WeakPolarHBondContact O-CB 3.27Å; S93-N97 PolarHBondContact O-N 3.46Å; S93-N97 PolarHBondContact O-ND2 3.24Å; S93-N97 PolarHBondContact OG-ND2 2.97Å
94	V	98	Very high	92.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-38.2	175.8	-179.2	0	0	0	0	111.3	T42 L44 A90 V91 K96 K98 A100 M121 L125 F289 V291	T42-V94 HydrophobicContact CG2-CG2 3.93Å; L44-V94 HydrophobicContact CD1-CG2 4.4Å; A90-V94 VanDerWaalsContact O-CG2 3.31Å; A90-V94 WeakPolarHBondContact O-CG2 3.48Å; A90-V94 PolarHBondContact O-N 3.3Å; V91-V94 PolarHBondContact O-N 3.07Å; V94-K96 VanDerWaalsContact C-N 3.32Å; V94-K96 PolarHBondContact O-N 3.05Å; V94-K98 WeakPolarHBondContact O-CA 3.48Å; V94-K98 PolarHBondContact O-N 3.15Å; V94-A100 HydrophobicContact CG1-CB 4.4Å; V94-A100 HydrophobicContact CG2-CB 3.67Å; V94-M121 HydrophobicContact CG2-CE 3.94Å; V94-L125 HydrophobicContact CB-CD1 4.01Å; V94-L125 HydrophobicContact CB-CD2 4.21Å; V94-L125 HydrophobicContact CG1-CD1 3.84Å; V94-L125 HydrophobicContact CG1-CD2 4.16Å; V94-L125 HydrophobicContact CG2-CD1 4.33Å; V94-F289 HydrophobicContact CG1-CB 4.23Å; V94-F289 HydrophobicContact CG1-CG 4.42Å; V94-V291 HydrophobicContact CG1-CG2 4.21Å
95	T	97.8	Very high	94.2	Very high	53 Å²	53	32.8 Å²	32.8	33%	0.325	16%	0.16	S	C	.	.	H	α-helix	trans	-64.5	-38.8	177.9	-61.5	0	0	0	0	112	V91 N92 S93 K98 F289	V91-T95 VanDerWaalsContact O-CB 3.27Å; V91-T95 WeakPolarHBondContact O-CB 3.27Å; V91-T95 PolarHBondContact O-N 3.03Å; V91-T95 PolarHBondContact O-OG1 3.33Å; N92-T95 PolarHBondContact O-N 2.81Å; S93-T95 VanDerWaalsContact C-N 3.32Å; S93-T95 PolarHBondContact O-N 3.19Å; T95-K98 VanDerWaalsContact O-CD 3.29Å; T95-K98 WeakPolarHBondContact O-CD 3.42Å; T95-K98 WeakPolarHBondContact O-CE 2.82Å; T95-K98 PolarHBondContact O-NZ 3.14Å; T95-F289 HydrophobicContact CG2-CE1 4.3Å; T95-F289 HydrophobicContact CG2-CZ 4.11Å
96	K	97.9	Very high	94.6	Very high	144 Å²	144	37.7 Å²	37.7	63%	0.626	18%	0.176	S	C	*	.	H	α-helix	trans	-68.3	-52.1	176.2	175.4	-169.2	166.4	-156.4	0	111.6	E71 N92 S93 V94	E71-K96 IonicContact OE2-NZ 3.25Å; E71-K96 PolarHBondContact OE2-NZ 3.27Å; N92-K96 WeakPolarHBondContact O-CB 3.36Å; N92-K96 PolarHBondContact O-N 3.38Å; S93-K96 PolarHBondContact O-N 3.39Å; V94-K96 VanDerWaalsContact C-N 3.32Å; V94-K96 PolarHBondContact O-N 3.05Å
97	N	97.9	Very high	94.4	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.134	19%	0.194	C	C	.	.	H	α-helix	trans	-87.7	-13.1	-171.6	-62.1	-32.2	0	0	0	113.3	T42 E71 S93 V99	T42-N97 PolarHBondContact OG1-ND2 2.97Å; E71-N97 PolarHBondContact OE2-ND2 2.93Å; S93-N97 WeakPolarHBondContact O-CB 3.27Å; S93-N97 PolarHBondContact O-N 3.46Å; S93-N97 PolarHBondContact O-ND2 3.24Å; S93-N97 PolarHBondContact OG-ND2 2.97Å; N97-V99 PolarHBondContact O-N 2.81Å
98	K	98.3	Very high	93.7	Very high	86 Å²	86	40.3 Å²	40.3	37%	0.374	19%	0.192	S	C	.	.	S	Bend	trans	63.4	-13.2	-178.1	-53.7	-62.3	-176.7	-179.1	0	116.2	V94 T95 E288 F289 A290	V94-K98 WeakPolarHBondContact O-CA 3.48Å; V94-K98 PolarHBondContact O-N 3.15Å; T95-K98 VanDerWaalsContact O-CD 3.29Å; T95-K98 WeakPolarHBondContact O-CD 3.42Å; T95-K98 WeakPolarHBondContact O-CE 2.82Å; T95-K98 PolarHBondContact O-NZ 3.14Å; K98-E288 IonicContact NZ-OE2 2.99Å; K98-E288 PolarHBondContact NZ-OE2 3.47Å; K98-F289 HydrophobicContact CD-CD1 3.7Å; K98-F289 HydrophobicContact CD-CE1 3.54Å; K98-F289 VanDerWaalsContact O-CA 3.3Å; K98-F289 WeakPolarHBondContact O-CA 3.17Å; K98-A290 PolarHBondContact O-N 3.2Å; K98-A290 VanDerWaalsContact O-N 3.15Å
99	V	98.4	Very high	92.8	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.9	179.8	66.1	0	0	0	0	110.6	V41 T42 N97 A290 F292 L321 I325	V41-V99 HydrophobicContact CB-CG1 4.44Å; V41-V99 HydrophobicContact CG1-CG1 4.38Å; V41-V99 HydrophobicContact CG2-CG1 3.92Å; T42-V99 PolarHBondContact N-O 3.14Å; N97-V99 PolarHBondContact O-N 2.81Å; V99-A290 CarbonylContact C-O 3.23Å; V99-A290 VanDerWaalsContact CA-O 3.3Å; V99-A290 WeakPolarHBondContact CA-O 3.43Å; V99-F292 HydrophobicContact CG2-CD2 4.03Å; V99-F292 HydrophobicContact CG2-CE2 3.92Å; V99-L321 HydrophobicContact CG2-CD1 3.9Å; V99-L321 HydrophobicContact CG2-CD2 4.42Å; V99-L321 HydrophobicContact CG2-CG 3.8Å; V99-I325 HydrophobicContact CB-CG2 4.41Å; V99-I325 HydrophobicContact CG1-CG2 4.06Å; V99-I325 HydrophobicContact CG2-CG2 4.31Å
100	A	98.6	Very high	91.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.8	175.9	0	0	0	0	0	112.7	T42 V94 A290 V291 F292	T42-A100 HydrophobicContact CG2-CB 4.34Å; T42-A100 CarbonylContact O-C 3.59Å; T42-A100 WeakPolarHBondContact O-CA 3.41Å; V94-A100 HydrophobicContact CG1-CB 4.4Å; V94-A100 HydrophobicContact CG2-CB 3.67Å; A100-A290 PolarHBondContact N-O 2.81Å; A100-V291 HydrophobicContact CB-CG1 4.3Å; A100-V291 HydrophobicContact CB-CG2 4.13Å; A100-F292 PolarHBondContact O-N 3.13Å
101	L	98.3	Very high	89.6	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.2	166	-170	68.8	0	0	0	108.2	V41 T42 L43 L44 F54 V57 F70 F292 I314 A317 S318 L321	V41-L101 HydrophobicContact CG1-CB 4.44Å; T42-L101 PolarHBondContact O-N 3.28Å; L43-L101 WeakPolarHBondContact CA-O 3.22Å; L43-L101 HydrophobicContact CD1-CB 4.1Å; L43-L101 HydrophobicContact CD1-CD2 4.05Å; L43-L101 HydrophobicContact CD1-CG 4.35Å; L44-L101 PolarHBondContact N-O 3.48Å; F54-L101 HydrophobicContact CD1-CD2 4.09Å; F54-L101 HydrophobicContact CE1-CD2 3.53Å; F54-L101 HydrophobicContact CE1-CG 3.63Å; F54-L101 HydrophobicContact CZ-CG 4.22Å; V57-L101 HydrophobicContact CG1-CD2 3.9Å; F70-L101 HydrophobicContact CE1-CD2 4.34Å; L101-F292 CarbonylContact C-O 3.51Å; L101-F292 WeakPolarHBondContact CA-O 3.49Å; L101-F292 HydrophobicContact CD1-CB 3.83Å; L101-I314 HydrophobicContact CD1-CD1 3.76Å; L101-I314 HydrophobicContact CG-CD1 4.08Å; L101-A317 HydrophobicContact CD1-CB 4.49Å; L101-S318 WeakPolarHBondContact CD2-OG 3.41Å; L101-L321 HydrophobicContact CB-CD1 3.91Å; L101-L321 HydrophobicContact CD1-CD1 4.26Å
102	K	97.4	Very high	87.4	Confident	5 Å²	5	53.9 Å²	53.9	2%	0.022	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.7	-166.5	171.3	176.8	172.8	-59.6	0	112.4	L44 F75 N118 M121 V291 F292 E293 P294	L44-K102 HydrophobicContact CB-CB 4.02Å; L44-K102 HydrophobicContact CB-CG 4.01Å; L44-K102 HydrophobicContact CD1-CB 4.27Å; L44-K102 HydrophobicContact CD1-CD 4.07Å; L44-K102 HydrophobicContact CD1-CG 4.26Å; L44-K102 CarbonylContact O-C 3.59Å; L44-K102 WeakPolarHBondContact O-CA 3.12Å; F75-K102 HydrophobicContact CE1-CD 4.44Å; K102-N118 VanDerWaalsContact CE-OD1 3.31Å; K102-N118 WeakPolarHBondContact CE-OD1 3.35Å; K102-N118 PolarHBondContact NZ-OD1 3.46Å; K102-M121 HydrophobicContact CD-CE 4.39Å; K102-M121 HydrophobicContact CD-SD 3.97Å; K102-V291 HydrophobicContact CB-CG1 3.67Å; K102-V291 HydrophobicContact CD-CG1 3.99Å; K102-V291 HydrophobicContact CG-CG1 4.42Å; K102-F292 PolarHBondContact N-O 3.14Å; K102-E293 HydrophobicContact CB-CB 4.42Å; K102-E293 IonicContact NZ-OE2 3.08Å; K102-E293 PolarHBondContact NZ-OE2 3.17Å; K102-E293 WeakPolarHBondContact O-CA 3.4Å; K102-E293 VanDerWaalsContact O-CB 3.27Å; K102-E293 WeakPolarHBondContact O-CB 3.27Å; K102-P294 WeakPolarHBondContact O-CD 3.28Å
103	G	95.6	Very high	85.1	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.			trans	-80.2	177.4	169.8	0	0	0	0	0	112.2	L44 F54	L44-G103 PolarHBondContact O-N 2.99Å; F54-G103 VanDerWaalsContact CE2-N 3.32Å; F54-G103 VanDerWaalsContact CZ-N 3.33Å
104	I	93.3	Very high	82.7	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-87.2	126.4	177.8	-52.4	-54.1	0	0	0	109.9	D47 W50 P294 R297	D47-I104 PolarHBondContact N-O 3.37Å; W50-I104 HydrophobicContact CD2-CG1 4.37Å; W50-I104 VanDerWaalsContact CE2-CG1 3.49Å; W50-I104 HydrophobicContact CZ2-CG1 3.68Å; W50-I104 VanDerWaalsContact NE1-CG1 3.31Å; I104-P294 HydrophobicContact CD1-CB 4.48Å; I104-P294 HydrophobicContact CD1-CG 4.15Å; I104-P294 HydrophobicContact CG1-CG 4.33Å; I104-R297 HydrophobicContact CD1-CB 4.37Å; I104-R297 HydrophobicContact CD1-CG 4.47Å; I104-R297 HydrophobicContact CG2-CB 4.45Å; I104-R297 WeakPolarHBondContact CG2-O 3.26Å
105	V	89.7	Confident	80.7	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-88.8	127.2	170.8	175.8	0	0	0	0	109.1	D47 F75 L117 N118	D47-V105 VanDerWaalsContact OD2-CA 3.23Å; D47-V105 WeakPolarHBondContact OD2-CA 3.37Å; D47-V105 WeakPolarHBondContact OD2-CG1 3.47Å; F75-V105 HydrophobicContact CD1-CG2 3.44Å; F75-V105 VanDerWaalsContact CD1-CG2 3.44Å; F75-V105 HydrophobicContact CE1-CG2 3.51Å; F75-V105 HydrophobicContact CG-CG2 4.5Å; F75-V105 WeakPolarHBondContact O-CG2 2.93Å; V105-L117 HydrophobicContact CG1-CB 4.21Å; V105-L117 HydrophobicContact CG1-CD2 4.01Å; V105-N118 PolarHBondContact O-ND2 2.89Å; V105-N118 VanDerWaalsContact O-ND2 3.15Å
106	R	84.5	Confident	79.8	Confident	113 Å²	113	58.2 Å²	58.2	43%	0.426	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.3	137.2	176.2	-176	-167.6	-179.8	171	-9.9	109.7	D47 F77 P108 N301	D47-R106 HydrophobicContact CB-CB 4.08Å; D47-R106 PolarHBondContact OD2-N 3.5Å; F77-R106 HydrophobicContact CB-CB 4.33Å; R106-P108 HydrophobicContact CG-CG 4.37Å; R106-N301 VanDerWaalsContact CD-ND2 3.26Å; R106-N301 WeakPolarHBondContact CD-ND2 3.27Å
107	T	80.4	Confident	79.2	Confident	70 Å²	70	51.3 Å²	51.3	43%	0.429	29%	0.293	S	S	.	.			trans	-124.1	96.7	170.3	-53.6	0	0	0	0	107.7	A116	T107-A116 HydrophobicContact CG2-CB 3.55Å
108	P	74.1	Confident	78.7	Confident	13 Å²	13	50.9 Å²	50.9	8%	0.084	29%	0.291	C	S	.	.			trans	-63.7	150.3	178.4	-17.2	30.7	0	0	0	111.7	F77 R106 E110 T111	F77-P108 VanDerWaalsContact CD2-CD 3.41Å; F77-P108 HydrophobicContact CD2-CG 3.78Å; F77-P108 HydrophobicContact CE1-CG 4.24Å; F77-P108 HydrophobicContact CE2-CG 3.32Å; F77-P108 HydrophobicContact CG-CG 4.44Å; F77-P108 HydrophobicContact CZ-CG 3.58Å; R106-P108 HydrophobicContact CG-CG 4.37Å; P108-E110 VanDerWaalsContact C-N 3.26Å; P108-E110 VanDerWaalsContact CB-OE2 3.23Å; P108-E110 WeakPolarHBondContact CB-OE2 3.33Å; P108-T111 PolarHBondContact O-OG1 2.85Å
109	V	72.9	Confident	78.2	Confident	143 Å²	143	47.3 Å²	47.3	87%	0.867	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.2	176.6	-179.5	0	0	0	0	110.6	T111	V109-T111 VanDerWaalsContact C-N 3.26Å; V109-T111 PolarHBondContact O-N 2.98Å
110	E	60.1	Low	77.7	Confident	154 Å²	154	50.6 Å²	50.6	72%	0.72	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.4	-175.3	-53.4	99.6	174.7	0	0	113.6	P108 Q112	P108-E110 VanDerWaalsContact C-N 3.26Å; P108-E110 VanDerWaalsContact CB-OE2 3.23Å; P108-E110 WeakPolarHBondContact CB-OE2 3.33Å; E110-Q112 PolarHBondContact O-N 3.21Å
111	T	58.6	Low	77.4	Confident	53 Å²	53	50.8 Å²	50.8	33%	0.325	29%	0.288	S	S	.	.			trans	-81.4	83.7	-178.9	50.7	0	0	0	0	111	F77 P108 V109	F77-T111 HydrophobicContact CE2-CG2 4.03Å; F77-T111 HydrophobicContact CZ-CG2 4.05Å; P108-T111 PolarHBondContact O-OG1 2.85Å; V109-T111 VanDerWaalsContact C-N 3.26Å; V109-T111 PolarHBondContact O-N 2.98Å
112	Q	50.4	Low	77.2	Confident	188 Å²	188	51.7 Å²	51.7	88%	0.879	29%	0.292	S	S	*	.			trans	-64.2	141.4	171.9	-65.8	-164.3	-2.7	0	0	111.5	E110 S114	E110-Q112 PolarHBondContact O-N 3.21Å; Q112-S114 VanDerWaalsContact C-N 3.33Å; Q112-S114 PolarHBondContact O-N 2.73Å; Q112-S114 VanDerWaalsContact O-N 3.16Å
113	G	47.7	Very low	77	Confident	89 Å²	89	56.6 Å²	56.6	92%	0.918	31%	0.31	S	S	*	.	S	Bend	trans	81	-15.9	163.3	0	0	0	0	0	117.8
114	S	47.2	Very low	76.9	Confident	58 Å²	58	59.5 Å²	59.5	41%	0.406	33%	0.334	S	S	.	.	S	Bend	trans	-91.8	117	172.9	68.3	0	0	0	0	110.4	Q112 A116	Q112-S114 VanDerWaalsContact C-N 3.33Å; Q112-S114 PolarHBondContact O-N 2.73Å; Q112-S114 VanDerWaalsContact O-N 3.16Å; S114-A116 PolarHBondContact O-N 3.33Å; S114-A116 VanDerWaalsContact O-N 3.15Å
115	S	56.8	Low	77.1	Confident	39 Å²	39	59.5 Å²	59.5	27%	0.273	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-52.5	125.8	168.6	60.8	0	0	0	0	108.9	L117 R120	S115-L117 PolarHBondContact O-N 2.97Å; S115-R120 VanDerWaalsContact O-CD 3.3Å; S115-R120 WeakPolarHBondContact O-CD 3.42Å; S115-R120 WeakPolarHBondContact OG-CD 3.41Å; S115-R120 WeakPolarHBondContact OG-CG 3.44Å
116	A	77.3	Confident	77.4	Confident	25 Å²	25	62.1 Å²	62.1	21%	0.207	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-50.1	136.7	-173.9	0	0	0	0	0	110.9	T107 S114 N118 L119 R120	T107-A116 HydrophobicContact CG2-CB 3.55Å; S114-A116 PolarHBondContact O-N 3.33Å; S114-A116 VanDerWaalsContact O-N 3.15Å; A116-N118 PolarHBondContact O-N 3.23Å; A116-L119 WeakPolarHBondContact O-CA 3.26Å; A116-L119 WeakPolarHBondContact O-CB 3.32Å; A116-L119 PolarHBondContact O-N 3.47Å; A116-R120 PolarHBondContact O-N 3.42Å; A116-R120 VanDerWaalsContact O-N 3.14Å
117	L	85.1	Confident	78.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-45.2	-41.5	-178.5	-161.5	57.8	0	0	0	113.1	F75 G76 D79 N80 L87 V105 S115 L119 R120 M121	F75-L117 HydrophobicContact CD1-CD2 4.49Å; F75-L117 HydrophobicContact CD2-CD2 4.02Å; F75-L117 HydrophobicContact CD2-CG 4.44Å; F75-L117 HydrophobicContact CE1-CD2 4.15Å; F75-L117 HydrophobicContact CE1-CG 4.28Å; F75-L117 HydrophobicContact CE2-CD1 4.1Å; F75-L117 HydrophobicContact CE2-CD2 3.65Å; F75-L117 HydrophobicContact CE2-CG 3.6Å; F75-L117 HydrophobicContact CG-CD2 4.44Å; F75-L117 HydrophobicContact CZ-CB 4.41Å; F75-L117 HydrophobicContact CZ-CD1 4.41Å; F75-L117 HydrophobicContact CZ-CD2 3.74Å; F75-L117 HydrophobicContact CZ-CG 3.51Å; G76-L117 VanDerWaalsContact O-CD2 3.28Å; G76-L117 WeakPolarHBondContact O-CD2 3.44Å; D79-L117 HydrophobicContact CB-CD2 4.3Å; N80-L117 VanDerWaalsContact OD1-CB 3.24Å; N80-L117 WeakPolarHBondContact OD1-CB 3.45Å; L87-L117 HydrophobicContact CB-CD1 4.06Å; L87-L117 HydrophobicContact CD1-CD1 4.49Å; V105-L117 HydrophobicContact CG1-CB 4.21Å; V105-L117 HydrophobicContact CG1-CD2 4.01Å; S115-L117 PolarHBondContact O-N 2.97Å; L117-L119 PolarHBondContact O-N 3.48Å; L117-R120 PolarHBondContact O-N 3.32Å; L117-M121 PolarHBondContact O-N 3Å
118	N	87.8	Confident	78.9	Confident	16 Å²	16	53.8 Å²	53.8	9%	0.086	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-43.7	176.7	-70	-66	0	0	0	112.5	K102 V105 A116 M121 R122	K102-N118 VanDerWaalsContact CE-OD1 3.31Å; K102-N118 WeakPolarHBondContact CE-OD1 3.35Å; K102-N118 PolarHBondContact NZ-OD1 3.46Å; V105-N118 PolarHBondContact O-ND2 2.89Å; V105-N118 VanDerWaalsContact O-ND2 3.15Å; A116-N118 PolarHBondContact O-N 3.23Å; N118-M121 PolarHBondContact O-N 3.48Å; N118-R122 VanDerWaalsContact O-CG 3.31Å; N118-R122 WeakPolarHBondContact O-CG 3.48Å; N118-R122 PolarHBondContact O-N 2.84Å
119	L	87.8	Confident	80.1	Confident	11 Å²	11	53.2 Å²	53.2	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-66.9	-41.9	178.3	-178	61.2	0	0	0	111	A116 L117 M121 R122 R123 Y160	A116-L119 WeakPolarHBondContact O-CA 3.26Å; A116-L119 WeakPolarHBondContact O-CB 3.32Å; A116-L119 PolarHBondContact O-N 3.47Å; L117-L119 PolarHBondContact O-N 3.48Å; L119-M121 PolarHBondContact O-N 3.43Å; L119-R122 PolarHBondContact O-N 2.79Å; L119-R123 HydrophobicContact CD1-CG 4.44Å; L119-R123 WeakPolarHBondContact O-CG 3.36Å; L119-R123 PolarHBondContact O-N 3.41Å; L119-Y160 WeakPolarHBondContact CD2-O 3.41Å
120	R	89	Confident	81.3	Confident	77 Å²	77	46.4 Å²	46.4	29%	0.291	26%	0.264	S	S	.	.	H	α-helix	trans	-59.9	-45.4	175.9	-66	173.1	64.3	-165.7	-1	111.4	L87 S115 A116 L117 R123 A124	L87-R120 HydrophobicContact CD1-CB 4.36Å; L87-R120 HydrophobicContact CD2-CB 3.67Å; S115-R120 VanDerWaalsContact O-CD 3.3Å; S115-R120 WeakPolarHBondContact O-CD 3.42Å; S115-R120 WeakPolarHBondContact OG-CD 3.41Å; S115-R120 WeakPolarHBondContact OG-CG 3.44Å; A116-R120 PolarHBondContact O-N 3.42Å; A116-R120 VanDerWaalsContact O-N 3.14Å; L117-R120 PolarHBondContact O-N 3.32Å; R120-R123 PolarHBondContact O-N 3.27Å; R120-A124 VanDerWaalsContact O-CB 3.3Å; R120-A124 WeakPolarHBondContact O-CB 3.14Å; R120-A124 PolarHBondContact O-N 2.91Å
121	M	92.1	Very high	83.1	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-46.1	175.6	-177.1	-172.5	178.8	0	0	112.1	L44 F75 L87 V94 K102 L117 N118 L119 R123 A124 L125 V291	L44-M121 HydrophobicContact CD1-CE 3.32Å; L44-M121 HydrophobicContact CD1-SD 3.94Å; F75-M121 HydrophobicContact CD1-SD 4.49Å; F75-M121 HydrophobicContact CE1-SD 3.76Å; F75-M121 HydrophobicContact CE2-CB 4.42Å; F75-M121 HydrophobicContact CE2-SD 4.24Å; F75-M121 HydrophobicContact CZ-CB 3.83Å; F75-M121 HydrophobicContact CZ-CG 4.19Å; F75-M121 HydrophobicContact CZ-SD 3.59Å; F75-M121 VanDerWaalsContact CZ-SD 3.59Å; L87-M121 HydrophobicContact CD1-CB 3.76Å; L87-M121 HydrophobicContact CD1-CG 4.46Å; V94-M121 HydrophobicContact CG2-CE 3.94Å; K102-M121 HydrophobicContact CD-CE 4.39Å; K102-M121 HydrophobicContact CD-SD 3.97Å; L117-M121 PolarHBondContact O-N 3Å; N118-M121 PolarHBondContact O-N 3.48Å; L119-M121 PolarHBondContact O-N 3.43Å; M121-R123 VanDerWaalsContact C-N 3.32Å; M121-R123 PolarHBondContact O-N 2.83Å; M121-A124 PolarHBondContact O-N 2.93Å; M121-L125 HydrophobicContact CE-CD1 3.55Å; M121-L125 HydrophobicContact CG-CD1 3.88Å; M121-L125 WeakPolarHBondContact O-CB 3.42Å; M121-L125 PolarHBondContact O-N 2.75Å; M121-V291 HydrophobicContact CE-CG2 4.29Å
122	R	93.7	Very high	85	Confident	20 Å²	20	36.6 Å²	36.6	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-42.5	177.8	-72.3	-178.4	-151.3	143.7	9	111.9	N118 L119 D126 L127 I156	N118-R122 VanDerWaalsContact O-CG 3.31Å; N118-R122 WeakPolarHBondContact O-CG 3.48Å; N118-R122 PolarHBondContact O-N 2.84Å; L119-R122 PolarHBondContact O-N 2.79Å; R122-D126 CarbonylContact O-C 3.54Å; R122-D126 VanDerWaalsContact O-CA 3.31Å; R122-D126 WeakPolarHBondContact O-CA 3.26Å; R122-D126 PolarHBondContact O-N 3.49Å; R122-L127 HydrophobicContact CB-CB 4.2Å; R122-L127 HydrophobicContact CG-CB 4.17Å; R122-L127 HydrophobicContact CG-CD1 4.25Å; R122-L127 PolarHBondContact O-N 3.29Å; R122-I156 HydrophobicContact CB-CD1 4.22Å; R122-I156 WeakPolarHBondContact O-CD1 3.49Å
123	R	92.8	Very high	87.3	Confident	108 Å²	108	29.5 Å²	29.5	41%	0.408	18%	0.181	S	C	.	.	H	α-helix	trans	-65.9	-45.3	175.5	-72.7	-179.8	177.1	168.8	1.9	112.1	L119 R120 M121 L125 D126 I156 S161	L119-R123 HydrophobicContact CD1-CG 4.44Å; L119-R123 WeakPolarHBondContact O-CG 3.36Å; L119-R123 PolarHBondContact O-N 3.41Å; R120-R123 PolarHBondContact O-N 3.27Å; M121-R123 VanDerWaalsContact C-N 3.32Å; M121-R123 PolarHBondContact O-N 2.83Å; R123-L125 PolarHBondContact O-N 2.89Å; R123-D126 PolarHBondContact O-N 3.31Å; R123-I156 HydrophobicContact CG-CD1 4.36Å; R123-S161 PolarHBondContact NH2-O 3.32Å
124	A	94.1	Very high	89.7	Confident	61 Å²	61	25.2 Å²	25.2	50%	0.504	14%	0.137	S	C	.	.	H	α-helix	trans	-62.2	-31.9	-179.6	0	0	0	0	0	113.1	V91 R120 M121	V91-A124 HydrophobicContact CG1-CB 4.24Å; V91-A124 HydrophobicContact CG2-CB 3.67Å; R120-A124 VanDerWaalsContact O-CB 3.3Å; R120-A124 WeakPolarHBondContact O-CB 3.14Å; R120-A124 PolarHBondContact O-N 2.91Å; M121-A124 PolarHBondContact O-N 2.93Å
125	L	96.8	Very high	92.1	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1.5	178.8	-67.7	172	0	0	0	113.7	V91 V94 M121 R123 L127 S286 F289	V91-L125 HydrophobicContact CG1-CD2 3.96Å; V91-L125 HydrophobicContact CG1-CG 4.42Å; V91-L125 HydrophobicContact CG2-CG 4.34Å; V94-L125 HydrophobicContact CB-CD1 4.01Å; V94-L125 HydrophobicContact CB-CD2 4.21Å; V94-L125 HydrophobicContact CG1-CD1 3.84Å; V94-L125 HydrophobicContact CG1-CD2 4.16Å; V94-L125 HydrophobicContact CG2-CD1 4.33Å; M121-L125 HydrophobicContact CE-CD1 3.55Å; M121-L125 HydrophobicContact CG-CD1 3.88Å; M121-L125 WeakPolarHBondContact O-CB 3.42Å; M121-L125 PolarHBondContact O-N 2.75Å; R123-L125 PolarHBondContact O-N 2.89Å; L125-L127 HydrophobicContact CB-CD1 4.27Å; L125-L127 HydrophobicContact CB-CD2 4.33Å; L125-L127 HydrophobicContact CB-CG 3.81Å; L125-L127 HydrophobicContact CD1-CD1 4.19Å; L125-L127 PolarHBondContact O-N 3.43Å; L125-S286 WeakPolarHBondContact O-CB 3.18Å; L125-S286 PolarHBondContact O-OG 3.3Å; L125-F289 HydrophobicContact CB-CD2 4.01Å; L125-F289 HydrophobicContact CB-CE2 4.45Å; L125-F289 HydrophobicContact CD2-CD2 3.79Å; L125-F289 HydrophobicContact CD2-CE2 3.8Å; L125-F289 HydrophobicContact CD2-CG 4.45Å; L125-F289 HydrophobicContact CD2-CZ 4.44Å; L125-F289 HydrophobicContact CG-CD2 4.48Å; L125-F289 WeakPolarHBondContact O-CD2 3.15Å
126	D	97.4	Very high	94	Very high	58 Å²	58	25 Å²	25	31%	0.31	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	43.6	-170.1	-168.2	38.2	0	0	0	113.6	R122 R123 F128 R185 S286	R122-D126 CarbonylContact O-C 3.54Å; R122-D126 VanDerWaalsContact O-CA 3.31Å; R122-D126 WeakPolarHBondContact O-CA 3.26Å; R122-D126 PolarHBondContact O-N 3.49Å; R123-D126 PolarHBondContact O-N 3.31Å; D126-F128 VanDerWaalsContact C-N 3.31Å; D126-F128 PolarHBondContact O-N 2.96Å; D126-R185 VanDerWaalsContact CG-NH1 3.31Å; D126-R185 IonicContact OD1-CZ 3.81Å; D126-R185 IonicContact OD1-NH1 3.63Å; D126-R185 PolarHBondContact OD1-NH1 3.04Å; D126-R185 IonicContact OD1-NH2 3.22Å; D126-R185 IonicContact OD2-NH1 2.76Å; D126-R185 PolarHBondContact OD2-NH1 3.48Å; D126-R185 VanDerWaalsContact OD2-NH1 3.08Å; D126-S286 WeakPolarHBondContact O-CA 3.31Å; D126-S286 WeakPolarHBondContact O-CB 3.45Å
127	L	97.7	Very high	94.9	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	12%	0.117	C	C	.	.			trans	-71.4	88	174.7	-63.3	175.6	0	0	0	109	R122 L125 Q155 I156 Y285 F289 V291	R122-L127 HydrophobicContact CB-CB 4.2Å; R122-L127 HydrophobicContact CG-CB 4.17Å; R122-L127 HydrophobicContact CG-CD1 4.25Å; R122-L127 PolarHBondContact O-N 3.29Å; L125-L127 HydrophobicContact CB-CD1 4.27Å; L125-L127 HydrophobicContact CB-CD2 4.33Å; L125-L127 HydrophobicContact CB-CG 3.81Å; L125-L127 HydrophobicContact CD1-CD1 4.19Å; L125-L127 PolarHBondContact O-N 3.43Å; L127-Q155 WeakPolarHBondContact O-CB 3.31Å; L127-Q155 PolarHBondContact O-OE1 3.33Å; L127-I156 WeakPolarHBondContact O-CD1 3.22Å; L127-Y285 CarbonylContact C-O 3.59Å; L127-Y285 WeakPolarHBondContact CA-O 3.48Å; L127-F289 HydrophobicContact CD2-CB 4.37Å; L127-V291 HydrophobicContact CD1-CB 4.16Å; L127-V291 HydrophobicContact CD1-CG2 3.72Å; L127-V291 HydrophobicContact CD2-CG2 4.12Å
128	F	97.9	Very high	95.4	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.026	15%	0.15	C	C	.	.			trans	-91	-24	-169.7	74.2	-94.4	0	0	0	115	D126 Q155 I156 R185 I186 F189 Y285 H287	D126-F128 VanDerWaalsContact C-N 3.31Å; D126-F128 PolarHBondContact O-N 2.96Å; F128-Q155 PolarHBondContact O-N 3.14Å; F128-I156 HydrophobicContact CB-CG1 4.14Å; F128-R185 VanDerWaalsContact CB-NH2 3.29Å; F128-R185 HydrophobicContact CD2-CG 3.87Å; F128-R185 HydrophobicContact CE2-CB 4.34Å; F128-R185 HydrophobicContact CE2-CG 4.13Å; F128-R185 HydrophobicContact CG-CG 4.41Å; F128-I186 HydrophobicContact CD2-CD1 4.28Å; F128-I186 HydrophobicContact CE2-CD1 4.5Å; F128-F189 HydrophobicContact CE2-CB 3.88Å; F128-F189 HydrophobicContact CE2-CD2 4.15Å; F128-F189 HydrophobicContact CE2-CG 4.16Å; F128-F189 HydrophobicContact CZ-CB 4.3Å; F128-F189 AromaticContact CZ-CD2 3.93Å; F128-F189 HydrophobicContact CZ-CD2 3.93Å; F128-F189 HydrophobicContact CZ-CG 4.39Å; F128-Y285 PolarHBondContact N-O 3.37Å; F128-H287 AromaticContact CE1-CE1 3.82Å; F128-H287 AromaticContact CE1-NE2 3.82Å
129	A	98.4	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.3	-176.1	0	0	0	0	0	111.3	I186 F189 S284 Y285	A129-I186 HydrophobicContact CB-CD1 3.49Å; A129-I186 VanDerWaalsContact CB-CD1 3.49Å; A129-F189 HydrophobicContact CB-CD1 3.79Å; A129-F189 HydrophobicContact CB-CD2 4.12Å; A129-F189 HydrophobicContact CB-CE1 3.9Å; A129-F189 HydrophobicContact CB-CE2 4.18Å; A129-F189 HydrophobicContact CB-CG 3.94Å; A129-F189 HydrophobicContact CB-CZ 4.1Å; A129-S284 CarbonylContact O-C 3.59Å; A129-S284 WeakPolarHBondContact O-CA 3.43Å; A129-Y285 PolarHBondContact N-O 3.23Å; A129-Y285 PolarHBondContact O-N 3.44Å
130	N	98.2	Very high	95.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.2	161.6	-145.7	166.4	0	0	0	108.5	I152 R153 Q155 V283 R297	N130-I152 CarbonylContact O-C 3.56Å; N130-I152 VanDerWaalsContact O-CA 3.26Å; N130-I152 WeakPolarHBondContact O-CA 3.36Å; N130-R153 HydrophobicContact CB-CB 3.95Å; N130-R153 HydrophobicContact CB-CG 4.39Å; N130-R153 PolarHBondContact N-O 2.67Å; N130-R153 PolarHBondContact O-N 3.27Å; N130-Q155 VanDerWaalsContact CB-CD 3.42Å; N130-Q155 HydrophobicContact CB-CG 3.69Å; N130-Q155 PolarHBondContact ND2-NE2 3.28Å; N130-Q155 PolarHBondContact OD1-NE2 3.05Å; N130-Q155 VanDerWaalsContact OD1-NE2 3.09Å; N130-V283 CarbonylContact C-O 3.6Å; N130-V283 WeakPolarHBondContact CA-O 3.49Å; N130-V283 PolarHBondContact ND2-O 3.12Å; N130-R297 PolarHBondContact OD1-NH2 2.93Å
131	V	98.6	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.2	165.8	-173.4	0	0	0	0	108.5	V150 I151 I152 F189 Y193 G282 V283 Y285	V131-V150 HydrophobicContact CG1-CG1 3.43Å; V131-V150 VanDerWaalsContact CG1-CG1 3.43Å; V131-I151 CarbonylContact C-O 3.54Å; V131-I151 WeakPolarHBondContact CA-O 3.3Å; V131-I152 HydrophobicContact CG1-CG1 4.4Å; V131-I152 HydrophobicContact CG2-CG1 4.27Å; V131-F189 HydrophobicContact CG2-CE1 3.46Å; V131-F189 VanDerWaalsContact CG2-CE1 3.46Å; V131-F189 HydrophobicContact CG2-CZ 3.76Å; V131-Y193 HydrophobicContact CG1-CD2 4.45Å; V131-Y193 HydrophobicContact CG1-CE2 3.79Å; V131-G282 CarbonylContact O-C 3.57Å; V131-G282 VanDerWaalsContact O-CA 3.24Å; V131-G282 WeakPolarHBondContact O-CA 3.49Å; V131-V283 HydrophobicContact CB-CG1 3.79Å; V131-V283 HydrophobicContact CG2-CG1 4.42Å; V131-V283 PolarHBondContact N-O 2.93Å; V131-V283 PolarHBondContact O-N 2.89Å; V131-Y285 HydrophobicContact CB-CE2 4.38Å; V131-Y285 HydrophobicContact CG2-CD2 3.86Å; V131-Y285 HydrophobicContact CG2-CE2 3.85Å
132	V	98.6	Very high	95.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.2	178.6	176	0	0	0	0	108.5	I134 V150 I151 D267 V280	V132-I134 HydrophobicContact CG1-CD1 3.74Å; V132-I134 HydrophobicContact CG1-CG1 4.25Å; V132-V150 WeakPolarHBondContact O-CA 3.21Å; V132-I151 HydrophobicContact CB-CB 4.37Å; V132-I151 PolarHBondContact N-O 3.44Å; V132-I151 PolarHBondContact O-N 2.62Å; V132-D267 WeakPolarHBondContact CG2-OD1 3.25Å; V132-V280 HydrophobicContact CG1-CG1 3.42Å; V132-V280 VanDerWaalsContact CG1-CG1 3.42Å
133	H	98	Very high	95.8	Very high	39 Å²	39	41.7 Å²	41.7	18%	0.181	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.4	-177.3	-56.8	83.8	0	0	0	109.3	Y193 P281	H133-Y193 PolarHBondContact CD2-OH 3.3Å; H133-Y193 VanDerWaalsContact CD2-OH 3.31Å; H133-Y193 AromaticContact NE2-CZ 3.94Å; H133-Y193 PolarHBondContact NE2-OH 2.61Å; H133-P281 HydrophobicContact CB-CG 4.3Å; H133-P281 PolarHBondContact N-O 3.21Å
134	I	98.1	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.8	-179.4	-57.3	-63.5	0	0	0	107.9	V132 D148 L149 I151 A270 V274 V280	V132-I134 HydrophobicContact CG1-CD1 3.74Å; V132-I134 HydrophobicContact CG1-CG1 4.25Å; I134-D148 WeakPolarHBondContact O-CA 3.36Å; I134-L149 HydrophobicContact CB-CD1 3.71Å; I134-L149 HydrophobicContact CB-CG 3.83Å; I134-L149 HydrophobicContact CG1-CD1 3.87Å; I134-L149 HydrophobicContact CG2-CD1 4.15Å; I134-L149 HydrophobicContact CG2-CD2 4.34Å; I134-L149 HydrophobicContact CG2-CG 4.02Å; I134-L149 PolarHBondContact N-O 2.99Å; I134-L149 PolarHBondContact O-N 3.47Å; I134-I151 HydrophobicContact CD1-CD1 4.32Å; I134-I151 HydrophobicContact CG1-CD1 3.72Å; I134-I151 HydrophobicContact CG1-CG1 4.45Å; I134-A270 HydrophobicContact CB-CB 4.43Å; I134-A270 HydrophobicContact CD1-CB 3.78Å; I134-A270 HydrophobicContact CG1-CB 3.69Å; I134-A270 HydrophobicContact CG2-CB 4.02Å; I134-V274 HydrophobicContact CG2-CG1 3.55Å; I134-V274 HydrophobicContact CG2-CG2 4.18Å; I134-V280 HydrophobicContact CD1-CG1 3.68Å; I134-V280 HydrophobicContact CD1-CG2 4.14Å
135	R	97.2	Very high	95.8	Very high	69 Å²	69	39.2 Å²	39.2	26%	0.26	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.3	178.2	65.9	-179.9	-173.9	171	5.4	112.4	L137 L147 E335	R135-L137 HydrophobicContact CG-CD2 3.99Å; R135-L137 PolarHBondContact O-N 3.47Å; R135-L147 CarbonylContact C-O 3.6Å; R135-L147 WeakPolarHBondContact CA-O 3.23Å; R135-E335 IonicContact CZ-OE1 2.76Å; R135-E335 IonicContact NH1-OE1 3.21Å; R135-E335 PolarHBondContact NH1-OE1 3.3Å; R135-E335 IonicContact NH2-OE1 3.07Å; R135-E335 PolarHBondContact NH2-OE1 2.89Å
136	T	97.3	Very high	95.6	Very high	24 Å²	24	45.3 Å²	45.3	15%	0.147	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-70.9	128.9	172.2	55.3	0	0	0	0	110	N146 L147 V274	T136-N146 VanDerWaalsContact OG1-CA 3.27Å; T136-N146 WeakPolarHBondContact OG1-CA 3.37Å; T136-N146 PolarHBondContact OG1-N 2.95Å; T136-L147 HydrophobicContact CG2-CB 3.8Å; T136-L147 HydrophobicContact CG2-CD1 4.41Å; T136-L147 HydrophobicContact CG2-CG 3.86Å; T136-L147 PolarHBondContact N-O 3.16Å; T136-L147 PolarHBondContact OG1-N 3.32Å; T136-V274 HydrophobicContact CG2-CG1 4.14Å
137	L	96.3	Very high	95.6	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-97.6	125.1	174.8	-56.9	-176.1	0	0	0	110.3	R135 G139 I140 V279 T312 L316 L339 I342	R135-L137 HydrophobicContact CG-CD2 3.99Å; R135-L137 PolarHBondContact O-N 3.47Å; L137-G139 PolarHBondContact O-N 3.19Å; L137-G139 VanDerWaalsContact O-N 3.16Å; L137-I140 HydrophobicContact CB-CD1 3.98Å; L137-I140 HydrophobicContact CB-CG1 4.18Å; L137-I140 HydrophobicContact CD1-CD1 4.03Å; L137-I140 HydrophobicContact CG-CD1 4.46Å; L137-I140 PolarHBondContact O-N 3.44Å; L137-I140 VanDerWaalsContact O-N 3.1Å; L137-V279 HydrophobicContact CD1-CB 4.2Å; L137-T312 HydrophobicContact CD1-CG2 4.06Å; L137-L316 HydrophobicContact CD1-CD1 4.15Å; L137-L339 HydrophobicContact CD1-CD2 4.46Å; L137-L339 HydrophobicContact CD2-CD2 3.84Å; L137-I342 HydrophobicContact CB-CG2 4.47Å; L137-I342 HydrophobicContact CD1-CD1 4.08Å
138	K	94.6	Very high	95.6	Very high	157 Å²	157	46.3 Å²	46.3	68%	0.683	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	120.6	176.7	-67.1	-175.1	179.9	-179.2	0	109.9	K343	K138-K343 VanDerWaalsContact O-CA 3.26Å; K138-K343 WeakPolarHBondContact O-CA 3.29Å; K138-K343 PolarHBondContact O-N 2.91Å
139	G	93.5	Very high	95.6	Very high	22 Å²	22	46 Å²	46	23%	0.227	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.9	-23	-176.9	0	0	0	0	0	113.3	L137 K345	L137-G139 PolarHBondContact O-N 3.19Å; L137-G139 VanDerWaalsContact O-N 3.16Å; G139-K345 WeakPolarHBondContact O-CE 3.26Å
140	I	94.5	Very high	95.7	Very high	10 Å²	10	46 Å²	46	5%	0.051	23%	0.233	C	C	.	.	S	Bend	trans	-94.6	125.1	176.6	-53.4	-169.9	0	0	0	109	L137 S142 V279 I342 I352	L137-I140 HydrophobicContact CB-CD1 3.98Å; L137-I140 HydrophobicContact CB-CG1 4.18Å; L137-I140 HydrophobicContact CD1-CD1 4.03Å; L137-I140 HydrophobicContact CG-CD1 4.46Å; L137-I140 PolarHBondContact O-N 3.44Å; L137-I140 VanDerWaalsContact O-N 3.1Å; I140-S142 PolarHBondContact O-N 3.32Å; I140-V279 HydrophobicContact CD1-CB 4.32Å; I140-V279 HydrophobicContact CD1-CG1 3.61Å; I140-I342 HydrophobicContact CD1-CG2 3.93Å; I140-I342 HydrophobicContact CG1-CG2 3.47Å; I140-I342 VanDerWaalsContact CG1-CG2 3.47Å; I140-I352 HydrophobicContact CD1-CB 4.37Å; I140-I352 HydrophobicContact CD1-CD1 4.4Å; I140-I352 HydrophobicContact CD1-CG2 3.98Å; I140-I352 HydrophobicContact CG2-CB 4.32Å; I140-I352 HydrophobicContact CG2-CG2 4.18Å
141	P	88.6	Confident	95.7	Very high	91 Å²	91	46 Å²	46	59%	0.591	23%	0.233	S	C	*	.			trans	-62.9	131.1	173.9	-20.4	32.7	0	0	0	111.4
142	S	90.7	Very high	95.7	Very high	26 Å²	26	46 Å²	46	18%	0.182	23%	0.233	C	C	.	.			trans	-147.2	147.4	173.7	56.1	0	0	0	0	109.9	I140 H144 Q145 L273	I140-S142 PolarHBondContact O-N 3.32Å; S142-H144 WeakPolarHBondContact CB-O 3.26Å; S142-H144 PolarHBondContact OG-O 3.34Å; S142-Q145 PolarHBondContact O-NE2 3.38Å; S142-Q145 PolarHBondContact OG-NE2 2.97Å; S142-L273 WeakPolarHBondContact CB-O 3.36Å
143	F	92.5	Very high	95.7	Very high	187 Å²	187	46 Å²	46	82%	0.82	23%	0.233	S	C	*	.	S	Bend	trans	-64.9	-45.2	177.5	-177.6	-95.6	0	0	0	111.1
144	H	94.3	Very high	95.7	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.065	23%	0.225	C	C	.	.	S	Bend	trans	-88.8	150.3	172.5	-60.5	-78.1	0	0	0	111.2	S142 L147 V247 P250 E251	S142-H144 WeakPolarHBondContact CB-O 3.26Å; S142-H144 PolarHBondContact OG-O 3.34Å; H144-L147 HydrophobicContact CB-CD1 3.58Å; H144-L147 HydrophobicContact CB-CD2 3.99Å; H144-L147 HydrophobicContact CB-CG 3.82Å; H144-V247 PolarHBondContact CE1-O 3.02Å; H144-V247 PolarHBondContact NE2-O 3.22Å; H144-V247 VanDerWaalsContact NE2-O 3.08Å; H144-P250 HydrophobicContact CB-CG 4.08Å; H144-P250 WeakPolarHBondContact CE1-CD 3.3Å; H144-P250 VanDerWaalsContact CG-CG 3.46Å; H144-P250 WeakPolarHBondContact ND1-CD 3.29Å; H144-P250 WeakPolarHBondContact ND1-CG 3.49Å; H144-E251 IonicContact ND1-OE1 3.6Å
145	Q	91.6	Very high	95.5	Very high	103 Å²	103	44.4 Å²	44.4	48%	0.481	23%	0.225	S	C	.	.			trans	-126.3	149.9	-177.5	-65.6	-63.4	-40.3	0	0	110.3	S142 L147	S142-Q145 PolarHBondContact O-NE2 3.38Å; S142-Q145 PolarHBondContact OG-NE2 2.97Å; Q145-L147 PolarHBondContact O-N 3.4Å
146	N	93.8	Very high	95.3	Very high	131 Å²	131	42.2 Å²	42.2	70%	0.701	22%	0.218	S	C	*	.	S	Bend	trans	56.9	32.9	179.3	-50.2	-58.1	0	0	0	114.2	T136	T136-N146 VanDerWaalsContact OG1-CA 3.27Å; T136-N146 WeakPolarHBondContact OG1-CA 3.37Å; T136-N146 PolarHBondContact OG1-N 2.95Å
147	L	97.4	Very high	95.2	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.214	C	C	.	.			trans	-71.9	140.2	171.6	-53.6	-176.1	0	0	0	110.1	R135 T136 H144 Q145 P250 E251 L273 V274	R135-L147 CarbonylContact C-O 3.6Å; R135-L147 WeakPolarHBondContact CA-O 3.23Å; T136-L147 HydrophobicContact CG2-CB 3.8Å; T136-L147 HydrophobicContact CG2-CD1 4.41Å; T136-L147 HydrophobicContact CG2-CG 3.86Å; T136-L147 PolarHBondContact N-O 3.16Å; T136-L147 PolarHBondContact OG1-N 3.32Å; H144-L147 HydrophobicContact CB-CD1 3.58Å; H144-L147 HydrophobicContact CB-CD2 3.99Å; H144-L147 HydrophobicContact CB-CG 3.82Å; Q145-L147 PolarHBondContact O-N 3.4Å; L147-P250 HydrophobicContact CD1-CB 3.98Å; L147-P250 HydrophobicContact CD1-CG 3.78Å; L147-P250 HydrophobicContact CD2-CB 3.9Å; L147-P250 HydrophobicContact CD2-CG 3.67Å; L147-P250 HydrophobicContact CG-CG 4.37Å; L147-E251 HydrophobicContact CD2-CB 4.5Å; L147-E251 HydrophobicContact CD2-CG 3.72Å; L147-L273 HydrophobicContact CD1-CB 4.02Å; L147-L273 HydrophobicContact CD1-CD1 4.41Å; L147-V274 HydrophobicContact CB-CG1 4.4Å; L147-V274 HydrophobicContact CD1-CG1 4.17Å
148	D	98	Very high	95.1	Very high	78 Å²	78	41.1 Å²	41.1	42%	0.417	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	87.9	173.6	177.2	32.8	0	0	0	108.8	I134 R199	I134-D148 WeakPolarHBondContact O-CA 3.36Å; D148-R199 PolarHBondContact O-NH1 3.39Å; D148-R199 IonicContact OD1-CZ 3.22Å; D148-R199 IonicContact OD1-NH1 3.84Å; D148-R199 IonicContact OD1-NH2 3.56Å; D148-R199 PolarHBondContact OD1-NH2 2.85Å; D148-R199 IonicContact OD2-CZ 2.79Å; D148-R199 VanDerWaalsContact OD2-CZ 3.25Å; D148-R199 IonicContact OD2-NH1 2.6Å; D148-R199 PolarHBondContact OD2-NH1 2.74Å; D148-R199 IonicContact OD2-NH2 2.73Å; D148-R199 PolarHBondContact OD2-NH2 3.4Å
149	L	98.4	Very high	94.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.2	178.8	66	94.1	0	0	0	110.3	I134 I151 L246 P250 F253 D254 M256	I134-L149 HydrophobicContact CB-CD1 3.71Å; I134-L149 HydrophobicContact CB-CG 3.83Å; I134-L149 HydrophobicContact CG1-CD1 3.87Å; I134-L149 HydrophobicContact CG2-CD1 4.15Å; I134-L149 HydrophobicContact CG2-CD2 4.34Å; I134-L149 HydrophobicContact CG2-CG 4.02Å; I134-L149 PolarHBondContact N-O 2.99Å; I134-L149 PolarHBondContact O-N 3.47Å; L149-I151 HydrophobicContact CD1-CD1 4.15Å; L149-I151 HydrophobicContact CD1-CG1 3.88Å; L149-L246 HydrophobicContact CD2-CD2 4.24Å; L149-P250 HydrophobicContact CD2-CB 4.4Å; L149-F253 HydrophobicContact CB-CB 4.21Å; L149-F253 HydrophobicContact CD2-CB 4.28Å; L149-D254 CarbonylContact C-O 3.12Å; L149-D254 WeakPolarHBondContact CA-O 3.39Å; L149-M256 HydrophobicContact CD1-SD 4.08Å
150	V	98.7	Very high	94.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.2	-177.1	-177.6	0	0	0	0	109.6	V131 V132 I152 Y193 D254 V255 M256	V131-V150 HydrophobicContact CG1-CG1 3.43Å; V131-V150 VanDerWaalsContact CG1-CG1 3.43Å; V132-V150 WeakPolarHBondContact O-CA 3.21Å; V150-I152 HydrophobicContact CG1-CG1 4.1Å; V150-Y193 HydrophobicContact CB-CE1 4.11Å; V150-Y193 HydrophobicContact CG1-CD1 4.47Å; V150-Y193 HydrophobicContact CG1-CE1 3.7Å; V150-Y193 HydrophobicContact CG2-CE1 3.99Å; V150-D254 PolarHBondContact N-O 2.77Å; V150-V255 HydrophobicContact CB-CG2 4.49Å; V150-V255 CarbonylContact O-C 3.52Å; V150-V255 WeakPolarHBondContact O-CA 3.46Å; V150-M256 PolarHBondContact O-N 3.38Å
151	I	98.8	Very high	94.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.3	175.8	-59.7	157.4	0	0	0	108.3	V131 V132 I134 L149 M256 M258 V266 D267 A270	V131-I151 CarbonylContact C-O 3.54Å; V131-I151 WeakPolarHBondContact CA-O 3.3Å; V132-I151 HydrophobicContact CB-CB 4.37Å; V132-I151 PolarHBondContact N-O 3.44Å; V132-I151 PolarHBondContact O-N 2.62Å; I134-I151 HydrophobicContact CD1-CD1 4.32Å; I134-I151 HydrophobicContact CG1-CD1 3.72Å; I134-I151 HydrophobicContact CG1-CG1 4.45Å; L149-I151 HydrophobicContact CD1-CD1 4.15Å; L149-I151 HydrophobicContact CD1-CG1 3.88Å; I151-M256 HydrophobicContact CG1-SD 4.39Å; I151-M258 HydrophobicContact CG2-CE 3.88Å; I151-M258 HydrophobicContact CG2-SD 4.26Å; I151-V266 HydrophobicContact CD1-CG1 3.71Å; I151-V266 HydrophobicContact CG1-CG1 4.06Å; I151-D267 WeakPolarHBondContact CB-OD1 3.11Å; I151-D267 WeakPolarHBondContact CG2-OD1 3.13Å; I151-A270 HydrophobicContact CD1-CB 3.67Å
152	I	98.8	Very high	93.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.8	176.6	-59.6	-177.5	0	0	0	108.2	N130 V131 V150 I186 F189 A190 Y193 V255 M256 V257 M258	N130-I152 CarbonylContact O-C 3.56Å; N130-I152 VanDerWaalsContact O-CA 3.26Å; N130-I152 WeakPolarHBondContact O-CA 3.36Å; V131-I152 HydrophobicContact CG1-CG1 4.4Å; V131-I152 HydrophobicContact CG2-CG1 4.27Å; V150-I152 HydrophobicContact CG1-CG1 4.1Å; I152-I186 HydrophobicContact CG2-CD1 3.66Å; I152-I186 HydrophobicContact CG2-CG1 4.22Å; I152-F189 HydrophobicContact CD1-CD1 4.27Å; I152-F189 HydrophobicContact CD1-CE1 4.18Å; I152-F189 HydrophobicContact CG2-CD1 3.86Å; I152-F189 HydrophobicContact CG2-CE1 4.2Å; I152-A190 HydrophobicContact CB-CB 4.4Å; I152-A190 HydrophobicContact CD1-CB 3.88Å; I152-A190 HydrophobicContact CG2-CB 4.18Å; I152-Y193 HydrophobicContact CD1-CD1 3.91Å; I152-Y193 HydrophobicContact CD1-CD2 4.47Å; I152-Y193 HydrophobicContact CD1-CG 3.82Å; I152-V255 HydrophobicContact CD1-CG1 3.6Å; I152-V255 HydrophobicContact CG1-CG1 4.16Å; I152-M256 WeakPolarHBondContact CA-O 3.45Å; I152-M256 WeakPolarHBondContact CB-O 3.45Å; I152-M256 PolarHBondContact N-O 2.94Å; I152-V257 HydrophobicContact CG2-CG2 4.41Å; I152-V257 VanDerWaalsContact O-CA 3.28Å; I152-V257 WeakPolarHBondContact O-CA 3.29Å; I152-M258 PolarHBondContact O-N 3.04Å
153	R	98.3	Very high	93.6	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.7	-171.2	162	-170	174.6	179.6	3.6	110.4	N130 N260 N264 D267	N130-R153 HydrophobicContact CB-CB 3.95Å; N130-R153 HydrophobicContact CB-CG 4.39Å; N130-R153 PolarHBondContact N-O 2.67Å; N130-R153 PolarHBondContact O-N 3.27Å; R153-N260 VanDerWaalsContact CZ-OD1 3.24Å; R153-N260 PolarHBondContact NE-O 2.81Å; R153-N260 PolarHBondContact NE-OD1 3.42Å; R153-N260 PolarHBondContact NH2-O 2.93Å; R153-N260 PolarHBondContact NH2-OD1 2.9Å; R153-N264 VanDerWaalsContact NH1-CA 3.31Å; R153-N264 VanDerWaalsContact NH1-CB 3.3Å; R153-N264 PolarHBondContact NH1-OD1 3.36Å; R153-D267 IonicContact NH1-OD2 3.84Å
154	E	97.9	Very high	93.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.6	166.3	-158.3	-64.4	130.4	0	0	109.6	I156 E157 R185 I186 M258 N260	E154-I156 VanDerWaalsContact CD-N 3.33Å; E154-I156 WeakPolarHBondContact OE1-CB 3.39Å; E154-I156 PolarHBondContact OE1-N 2.95Å; E154-I156 PolarHBondContact OE2-N 3.19Å; E154-E157 HydrophobicContact CG-CG 4.43Å; E154-E157 WeakPolarHBondContact OE2-CG 3.4Å; E154-E157 PolarHBondContact OE2-N 3.38Å; E154-R185 IonicContact OE1-NH2 2.66Å; E154-I186 HydrophobicContact CB-CB 4.41Å; E154-I186 HydrophobicContact CB-CG1 4.14Å; E154-I186 HydrophobicContact CB-CG2 4.26Å; E154-I186 HydrophobicContact CG-CB 4.32Å; E154-I186 HydrophobicContact CG-CG2 4.18Å; E154-M258 PolarHBondContact N-O 3.47Å; E154-M258 VanDerWaalsContact N-O 3.07Å; E154-N260 WeakPolarHBondContact O-CA 3.42Å; E154-N260 WeakPolarHBondContact O-CB 3.39Å; E154-N260 PolarHBondContact O-OD1 3.37Å
155	Q	93.8	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.			trans	-116.8	-6.9	-170.3	-75.9	-170.7	-42.6	0	0	116.6	L127 F128 N130 N260 S284	L127-Q155 WeakPolarHBondContact O-CB 3.31Å; L127-Q155 PolarHBondContact O-OE1 3.33Å; F128-Q155 PolarHBondContact O-N 3.14Å; N130-Q155 VanDerWaalsContact CB-CD 3.42Å; N130-Q155 HydrophobicContact CB-CG 3.69Å; N130-Q155 PolarHBondContact ND2-NE2 3.28Å; N130-Q155 PolarHBondContact OD1-NE2 3.05Å; N130-Q155 VanDerWaalsContact OD1-NE2 3.09Å; Q155-N260 PolarHBondContact O-ND2 2.86Å; Q155-S284 PolarHBondContact NE2-OG 3.3Å; Q155-S284 PolarHBondContact OE1-OG 3.4Å
156	I	94	Very high	93.5	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.118	20%	0.201	C	C	.	.	S	Bend	trans	-103.7	-33.9	-168.2	-62.9	-65.8	0	0	0	112.6	R122 R123 L127 F128 E154	R122-I156 HydrophobicContact CB-CD1 4.22Å; R122-I156 WeakPolarHBondContact O-CD1 3.49Å; R123-I156 HydrophobicContact CG-CD1 4.36Å; L127-I156 WeakPolarHBondContact O-CD1 3.22Å; F128-I156 HydrophobicContact CB-CG1 4.14Å; E154-I156 VanDerWaalsContact CD-N 3.33Å; E154-I156 WeakPolarHBondContact OE1-CB 3.39Å; E154-I156 PolarHBondContact OE1-N 2.95Å; E154-I156 PolarHBondContact OE2-N 3.19Å
157	E	94.2	Very high	93.5	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.056	19%	0.187	C	C	.	.	S	Bend	trans	-124.4	-158.3	-172.5	67.2	173.9	-154.3	0	0	112.6	E154 I178 T179 N182 N260	E154-E157 HydrophobicContact CG-CG 4.43Å; E154-E157 WeakPolarHBondContact OE2-CG 3.4Å; E154-E157 PolarHBondContact OE2-N 3.38Å; E157-I178 WeakPolarHBondContact OE1-CA 3.48Å; E157-T179 PolarHBondContact OE1-N 3.45Å; E157-T179 WeakPolarHBondContact OE2-CB 3.29Å; E157-T179 WeakPolarHBondContact OE2-CG2 3.47Å; E157-T179 PolarHBondContact OE2-N 3.46Å; E157-T179 PolarHBondContact OE2-OG1 3.13Å; E157-N182 VanDerWaalsContact CD-CB 3.41Å; E157-N182 HydrophobicContact CG-CB 4.11Å; E157-N182 WeakPolarHBondContact OE1-CB 3.42Å; E157-N182 WeakPolarHBondContact OE2-CB 3.45Å; E157-N182 PolarHBondContact OE2-ND2 2.88Å; E157-N260 WeakPolarHBondContact O-CB 3.31Å; E157-N260 PolarHBondContact O-ND2 3.46Å
158	G	93.8	Very high	93.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	81.8	-148	-173.8	0	0	0	0	0	112.5	Y160 S161 I177	G158-Y160 PolarHBondContact O-N 2.95Å; G158-S161 WeakPolarHBondContact O-CB 3.33Å; G158-S161 PolarHBondContact O-N 3.27Å; G158-S161 PolarHBondContact O-OG 2.88Å; G158-I177 VanDerWaalsContact CA-O 3.29Å; G158-I177 WeakPolarHBondContact CA-O 3.34Å; G158-I177 PolarHBondContact N-O 3.02Å
159	E	90.5	Very high	93.4	Very high	38 Å²	38	46.3 Å²	46.3	18%	0.178	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66.8	-20.4	179.2	-59	87.1	164	0	0	111.9	S161 K176 L261	E159-S161 PolarHBondContact O-N 2.82Å; E159-K176 HydrophobicContact CG-CB 4.3Å; E159-K176 HydrophobicContact CG-CD 4.08Å; E159-K176 HydrophobicContact CG-CG 4.13Å; E159-K176 VanDerWaalsContact OE1-CD 3.27Å; E159-K176 WeakPolarHBondContact OE1-CD 3.45Å; E159-K176 WeakPolarHBondContact OE1-CE 3.42Å; E159-K176 IonicContact OE1-NZ 2.83Å; E159-K176 PolarHBondContact OE1-NZ 3.03Å; E159-L261 HydrophobicContact CB-CB 4.2Å; E159-L261 HydrophobicContact CB-CD2 4.19Å; E159-L261 HydrophobicContact CG-CB 4.2Å; E159-L261 HydrophobicContact CG-CD2 3.77Å; E159-L261 VanDerWaalsContact OE2-CB 3.24Å; E159-L261 WeakPolarHBondContact OE2-CB 3.45Å
160	Y	87.1	Confident	93.3	Very high	69 Å²	69	49.4 Å²	49.4	27%	0.271	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-88.1	15.4	178.4	-68.5	6.5	0	0	0	112.4	L119 G158 S162 N260 L261 N264	L119-Y160 WeakPolarHBondContact CD2-O 3.41Å; G158-Y160 PolarHBondContact O-N 2.95Å; Y160-S162 PolarHBondContact O-N 3Å; Y160-N260 WeakPolarHBondContact CD2-OD1 3.44Å; Y160-L261 HydrophobicContact CE1-CB 4.5Å; Y160-L261 HydrophobicContact CE1-CD1 3.68Å; Y160-N264 HydrophobicContact CE2-CB 4.2Å; Y160-N264 WeakPolarHBondContact OH-CB 3.35Å; Y160-N264 PolarHBondContact OH-ND2 2.86Å; Y160-N264 VanDerWaalsContact OH-ND2 3.13Å
161	S	84.6	Confident	93.2	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.063	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24.5	166.5	65.5	0	0	0	0	111.9	R123 G158 E159 L163 L175	R123-S161 PolarHBondContact NH2-O 3.32Å; G158-S161 WeakPolarHBondContact O-CB 3.33Å; G158-S161 PolarHBondContact O-N 3.27Å; G158-S161 PolarHBondContact O-OG 2.88Å; E159-S161 PolarHBondContact O-N 2.82Å; S161-L163 PolarHBondContact O-N 3.22Å; S161-L163 PolarHBondContact OG-N 3.46Å; S161-L175 PolarHBondContact OG-O 3.25Å
162	S	82.3	Confident	92.9	Very high	68 Å²	68	58 Å²	58	48%	0.476	32%	0.315	S	S	.	.			trans	57.9	35.1	-173.7	-59.9	0	0	0	0	112.9	Y160 E164	Y160-S162 PolarHBondContact O-N 3Å; S162-E164 PolarHBondContact O-N 3.28Å
163	L	87.3	Confident	92.7	Very high	82 Å²	82	62.1 Å²	62.1	43%	0.429	33%	0.334	S	S	.	.			trans	-92.3	88.2	173.9	-63.7	178.1	0	0	0	108.6	S161 L175 I177	S161-L163 PolarHBondContact O-N 3.22Å; S161-L163 PolarHBondContact OG-N 3.46Å; L163-L175 HydrophobicContact CB-CB 3.87Å; L163-L175 HydrophobicContact CB-CD1 4.31Å; L163-L175 HydrophobicContact CB-CG 4.49Å; L163-L175 PolarHBondContact O-N 3.03Å; L163-I177 HydrophobicContact CD1-CD1 4.44Å; L163-I177 HydrophobicContact CD1-CG1 3.81Å
164	E	89.7	Confident	92.5	Very high	128 Å²	128	65.2 Å²	65.2	60%	0.598	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.7	179.9	-58.9	-173.2	118.9	0	0	110.2	S162 E173 S174	S162-E164 PolarHBondContact O-N 3.28Å; E164-E173 VanDerWaalsContact CA-O 3.23Å; E164-E173 WeakPolarHBondContact CA-O 3.46Å; E164-S174 PolarHBondContact OE1-OG 2.91Å
165	H	91.1	Very high	92.4	Very high	77 Å²	77	68.6 Å²	68.6	36%	0.356	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.6	175.8	58.3	-95.8	0	0	0	110.8	S167 I172 E173	H165-S167 PolarHBondContact CD2-OG 3.47Å; H165-S167 VanDerWaalsContact CD2-OG 3.25Å; H165-S167 PolarHBondContact NE2-OG 3.16Å; H165-I172 WeakPolarHBondContact O-CA 3.2Å; H165-E173 IonicContact CD2-OE2 3.88Å; H165-E173 IonicContact CE1-OE2 2.83Å; H165-E173 PolarHBondContact CE1-OE2 2.56Å; H165-E173 PolarHBondContact N-O 2.65Å; H165-E173 VanDerWaalsContact N-O 3.12Å; H165-E173 WeakPolarHBondContact NE2-CB 3.39Å; H165-E173 IonicContact NE2-OE2 2.75Å; H165-E173 PolarHBondContact NE2-OE2 2.91Å; H165-E173 PolarHBondContact O-N 3.39Å
166	E	94.9	Very high	92.5	Very high	109 Å²	109	70.7 Å²	70.7	51%	0.509	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	100.2	173.7	-176.5	168.9	-148.6	0	0	108.5	V168 K169 G170 V171 I172	E166-V168 VanDerWaalsContact C-N 3.35Å; E166-V168 VanDerWaalsContact CG-O 3.23Å; E166-V168 WeakPolarHBondContact CG-O 3.36Å; E166-K169 VanDerWaalsContact OE1-CA 3.28Å; E166-K169 WeakPolarHBondContact OE1-CA 3.35Å; E166-G170 PolarHBondContact OE1-N 2.95Å; E166-V171 CarbonylContact C-O 3.55Å; E166-V171 WeakPolarHBondContact CA-O 3.43Å; E166-I172 HydrophobicContact CB-CD1 3.6Å; E166-I172 HydrophobicContact CG-CD1 3.68Å
167	S	95	Very high	92.6	Very high	57 Å²	57	73.2 Å²	73.2	40%	0.399	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-39.5	-176.5	-66.2	0	0	0	0	111.9	H165 V171 E173	H165-S167 PolarHBondContact CD2-OG 3.47Å; H165-S167 VanDerWaalsContact CD2-OG 3.25Å; H165-S167 PolarHBondContact NE2-OG 3.16Å; S167-V171 PolarHBondContact N-O 3.37Å; S167-E173 WeakPolarHBondContact CB-OE1 3.47Å; S167-E173 PolarHBondContact OG-OE1 3.33Å
168	V	95.9	Very high	92.7	Very high	100 Å²	100	73.8 Å²	73.8	61%	0.606	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.3	171.4	179.4	0	0	0	0	106.6	E166 G170 V171	E166-V168 VanDerWaalsContact C-N 3.35Å; E166-V168 VanDerWaalsContact CG-O 3.23Å; E166-V168 WeakPolarHBondContact CG-O 3.36Å; V168-G170 PolarHBondContact O-N 3.45Å; V168-V171 HydrophobicContact CB-CG2 4.48Å; V168-V171 WeakPolarHBondContact O-CA 3.43Å; V168-V171 WeakPolarHBondContact O-CB 3.3Å; V168-V171 PolarHBondContact O-N 3.08Å
169	K	96.2	Very high	93	Very high	194 Å²	194	75.9 Å²	75.9	84%	0.843	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.1	117.2	177.8	-172.1	177.5	-178.7	178.8	0	111.7	E166	E166-K169 VanDerWaalsContact OE1-CA 3.28Å; E166-K169 WeakPolarHBondContact OE1-CA 3.35Å
170	G	96.2	Very high	93.3	Very high	67 Å²	67	78.7 Å²	78.7	69%	0.691	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-2.9	-177.3	0	0	0	0	0	115.8	E166 V168	E166-G170 PolarHBondContact OE1-N 2.95Å; V168-G170 PolarHBondContact O-N 3.45Å
171	V	96.3	Very high	93.9	Very high	77 Å²	77	78.9 Å²	78.9	47%	0.467	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	99.1	-179.5	-176.6	0	0	0	0	109.3	E166 S167 V168	E166-V171 CarbonylContact C-O 3.55Å; E166-V171 WeakPolarHBondContact CA-O 3.43Å; S167-V171 PolarHBondContact N-O 3.37Å; V168-V171 HydrophobicContact CB-CG2 4.48Å; V168-V171 WeakPolarHBondContact O-CA 3.43Å; V168-V171 WeakPolarHBondContact O-CB 3.3Å; V168-V171 PolarHBondContact O-N 3.08Å
172	I	94.1	Very high	94.5	Very high	104 Å²	104	79.7 Å²	79.7	53%	0.533	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.5	178.2	-49	-54.8	0	0	0	109.6	H165 E166	H165-I172 WeakPolarHBondContact O-CA 3.2Å; E166-I172 HydrophobicContact CB-CD1 3.6Å; E166-I172 HydrophobicContact CG-CD1 3.68Å
173	E	94.3	Very high	95.3	Very high	85 Å²	85	76.5 Å²	76.5	40%	0.397	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.6	171.1	-70.9	175.7	-154.2	0	0	109.8	E164 H165 S167	E164-E173 VanDerWaalsContact CA-O 3.23Å; E164-E173 WeakPolarHBondContact CA-O 3.46Å; H165-E173 IonicContact CD2-OE2 3.88Å; H165-E173 IonicContact CE1-OE2 2.83Å; H165-E173 PolarHBondContact CE1-OE2 2.56Å; H165-E173 PolarHBondContact N-O 2.65Å; H165-E173 VanDerWaalsContact N-O 3.12Å; H165-E173 WeakPolarHBondContact NE2-CB 3.39Å; H165-E173 IonicContact NE2-OE2 2.75Å; H165-E173 PolarHBondContact NE2-OE2 2.91Å; H165-E173 PolarHBondContact O-N 3.39Å; S167-E173 WeakPolarHBondContact CB-OE1 3.47Å; S167-E173 PolarHBondContact OG-OE1 3.33Å
174	S	93.5	Very high	95.8	Very high	67 Å²	67	76.7 Å²	76.7	47%	0.469	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.6	176.4	-169.5	0	0	0	0	109.2	E164	E164-S174 PolarHBondContact OE1-OG 2.91Å
175	L	94.8	Very high	96.2	Very high	75 Å²	75	72.4 Å²	72.4	39%	0.393	39%	0.391	S	S	.	.			trans	-96.4	104.3	-173	-58.1	175.2	0	0	0	110.9	S161 L163 I177	S161-L175 PolarHBondContact OG-O 3.25Å; L163-L175 HydrophobicContact CB-CB 3.87Å; L163-L175 HydrophobicContact CB-CD1 4.31Å; L163-L175 HydrophobicContact CB-CG 4.49Å; L163-L175 PolarHBondContact O-N 3.03Å; L175-I177 HydrophobicContact CB-CD1 4.49Å; L175-I177 PolarHBondContact O-N 2.96Å
176	K	95.8	Very high	96.6	Very high	44 Å²	44	68.8 Å²	68.8	19%	0.191	37%	0.374	C	S	.	.			trans	-79	115.2	170.3	179.6	-179.7	-179.2	160.8	0	110.5	E159 I178 M211 D215	E159-K176 HydrophobicContact CG-CB 4.3Å; E159-K176 HydrophobicContact CG-CD 4.08Å; E159-K176 HydrophobicContact CG-CG 4.13Å; E159-K176 VanDerWaalsContact OE1-CD 3.27Å; E159-K176 WeakPolarHBondContact OE1-CD 3.45Å; E159-K176 WeakPolarHBondContact OE1-CE 3.42Å; E159-K176 IonicContact OE1-NZ 2.83Å; E159-K176 PolarHBondContact OE1-NZ 3.03Å; K176-I178 HydrophobicContact CG-CG1 4.25Å; K176-M211 HydrophobicContact CD-SD 3.73Å; K176-M211 PolarHBondContact NZ-SD 3.02Å; K176-M211 VanDerWaalsContact NZ-SD 3.37Å; K176-D215 WeakPolarHBondContact CE-OD1 3.39Å; K176-D215 IonicContact NZ-OD1 2.76Å; K176-D215 PolarHBondContact NZ-OD1 3.48Å; K176-D215 IonicContact NZ-OD2 3.3Å
177	I	96.4	Very high	96.8	Very high	75 Å²	75	63.6 Å²	63.6	39%	0.385	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-105.5	120.6	176.2	-51.8	-56.9	0	0	0	109.3	G158 L163 L175 T179	G158-I177 VanDerWaalsContact CA-O 3.29Å; G158-I177 WeakPolarHBondContact CA-O 3.34Å; G158-I177 PolarHBondContact N-O 3.02Å; L163-I177 HydrophobicContact CD1-CD1 4.44Å; L163-I177 HydrophobicContact CD1-CG1 3.81Å; L175-I177 HydrophobicContact CB-CD1 4.49Å; L175-I177 PolarHBondContact O-N 2.96Å; I177-T179 HydrophobicContact CG2-CG2 4.13Å
178	I	98	Very high	97	Very high	25 Å²	25	65.2 Å²	65.2	13%	0.128	35%	0.349	C	S	.	.			trans	-122.5	127.5	170.6	-60.8	-65.4	0	0	0	107.9	E157 K176 L217 F218 P259	E157-I178 WeakPolarHBondContact OE1-CA 3.48Å; K176-I178 HydrophobicContact CG-CG1 4.25Å; I178-L217 HydrophobicContact CG2-CD2 4.42Å; I178-F218 HydrophobicContact CG2-CB 4.45Å; I178-P259 HydrophobicContact CD1-CB 4.42Å
179	T	98.2	Very high	97.1	Very high	43 Å²	43	61.8 Å²	61.8	26%	0.264	33%	0.326	S	S	.	.			trans	-114.2	148.1	-179.8	65.9	0	0	0	0	110.6	E157 I177 S181 N182 S183	E157-T179 PolarHBondContact OE1-N 3.45Å; E157-T179 WeakPolarHBondContact OE2-CB 3.29Å; E157-T179 WeakPolarHBondContact OE2-CG2 3.47Å; E157-T179 PolarHBondContact OE2-N 3.46Å; E157-T179 PolarHBondContact OE2-OG1 3.13Å; I177-T179 HydrophobicContact CG2-CG2 4.13Å; T179-S181 VanDerWaalsContact C-N 3.31Å; T179-S181 PolarHBondContact O-N 3.37Å; T179-S181 PolarHBondContact OG1-OG 2.87Å; T179-N182 PolarHBondContact O-N 2.82Å; T179-N182 VanDerWaalsContact OG1-CB 3.32Å; T179-N182 WeakPolarHBondContact OG1-CB 3.46Å; T179-N182 PolarHBondContact OG1-N 3.46Å; T179-N182 PolarHBondContact OG1-ND2 3.23Å; T179-S183 WeakPolarHBondContact O-CB 3.27Å; T179-S183 PolarHBondContact O-N 3.34Å; T179-S183 PolarHBondContact O-OG 2.87Å
180	R	98.4	Very high	97.2	Very high	97 Å²	97	52.5 Å²	52.5	37%	0.366	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.9	-173.8	172.7	-68.8	-89	3.8	110.8	N182 S183 E184 L217 E220	R180-N182 PolarHBondContact O-N 2.96Å; R180-S183 PolarHBondContact O-N 3.31Å; R180-E184 WeakPolarHBondContact CD-OE1 3.49Å; R180-E184 HydrophobicContact CG-CG 4.1Å; R180-E184 VanDerWaalsContact CG-OE1 3.26Å; R180-E184 WeakPolarHBondContact CG-OE1 3.41Å; R180-E184 WeakPolarHBondContact O-CB 3.46Å; R180-E184 VanDerWaalsContact O-CG 3.28Å; R180-E184 WeakPolarHBondContact O-CG 3.48Å; R180-E184 PolarHBondContact O-N 2.91Å; R180-L217 HydrophobicContact CB-CD1 4.17Å; R180-L217 HydrophobicContact CB-CD2 4.45Å; R180-L217 HydrophobicContact CG-CD1 4.38Å; R180-L217 VanDerWaalsContact CZ-CD1 3.41Å; R180-E220 IonicContact CZ-OE1 2.89Å; R180-E220 IonicContact NH1-OE1 2.67Å; R180-E220 PolarHBondContact NH1-OE1 3.45Å; R180-E220 IonicContact NH2-OE1 3.95Å; R180-E220 PolarHBondContact NH2-OE1 3.35Å; R180-E220 IonicContact NH2-OE2 3.35Å; R180-E220 PolarHBondContact NH2-OE2 3.04Å
181	S	98.2	Very high	97.3	Very high	73 Å²	73	49.3 Å²	49.3	51%	0.51	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-45.7	179.5	49.1	0	0	0	0	113.1	T179 E184 R185	T179-S181 VanDerWaalsContact C-N 3.31Å; T179-S181 PolarHBondContact O-N 3.37Å; T179-S181 PolarHBondContact OG1-OG 2.87Å; S181-E184 PolarHBondContact O-N 2.93Å; S181-R185 PolarHBondContact O-N 2.66Å; S181-R185 VanDerWaalsContact O-N 3.15Å
182	N	98	Very high	97.4	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-74.2	-35	179.8	-70.8	-16.9	0	0	0	111.9	E157 T179 R180 R185 I186	E157-N182 VanDerWaalsContact CD-CB 3.41Å; E157-N182 HydrophobicContact CG-CB 4.11Å; E157-N182 WeakPolarHBondContact OE1-CB 3.42Å; E157-N182 WeakPolarHBondContact OE2-CB 3.45Å; E157-N182 PolarHBondContact OE2-ND2 2.88Å; T179-N182 PolarHBondContact O-N 2.82Å; T179-N182 VanDerWaalsContact OG1-CB 3.32Å; T179-N182 WeakPolarHBondContact OG1-CB 3.46Å; T179-N182 PolarHBondContact OG1-N 3.46Å; T179-N182 PolarHBondContact OG1-ND2 3.23Å; R180-N182 PolarHBondContact O-N 2.96Å; N182-R185 VanDerWaalsContact O-CG 3.27Å; N182-R185 WeakPolarHBondContact O-CG 3.28Å; N182-R185 PolarHBondContact OD1-NE 2.81Å; N182-R185 PolarHBondContact OD1-NH2 3.49Å; N182-I186 VanDerWaalsContact O-CG2 3.31Å; N182-I186 WeakPolarHBondContact O-CG2 3.46Å; N182-I186 PolarHBondContact O-N 3.28Å
183	S	98.6	Very high	97.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-40.4	172.5	-61.2	0	0	0	0	112.2	T179 R180 I186 A187 T221	T179-S183 WeakPolarHBondContact O-CB 3.27Å; T179-S183 PolarHBondContact O-N 3.34Å; T179-S183 PolarHBondContact O-OG 2.87Å; R180-S183 PolarHBondContact O-N 3.31Å; S183-I186 WeakPolarHBondContact O-CG2 3.28Å; S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 2.97Å; S183-T221 VanDerWaalsContact C-CG2 3.48Å
184	E	98.6	Very high	97.9	Very high	86 Å²	86	39.2 Å²	39.2	40%	0.402	20%	0.199	S	C	.	.	H	α-helix	trans	-67.4	-46.5	-180	-79.9	174.8	178.9	0	0	111.2	R180 S181 A187 K188 T221	R180-E184 WeakPolarHBondContact CD-OE1 3.49Å; R180-E184 HydrophobicContact CG-CG 4.1Å; R180-E184 VanDerWaalsContact CG-OE1 3.26Å; R180-E184 WeakPolarHBondContact CG-OE1 3.41Å; R180-E184 WeakPolarHBondContact O-CB 3.46Å; R180-E184 VanDerWaalsContact O-CG 3.28Å; R180-E184 WeakPolarHBondContact O-CG 3.48Å; R180-E184 PolarHBondContact O-N 2.91Å; S181-E184 PolarHBondContact O-N 2.93Å; E184-A187 PolarHBondContact O-N 3.38Å; E184-K188 VanDerWaalsContact O-CB 3.29Å; E184-K188 WeakPolarHBondContact O-CB 3.32Å; E184-K188 PolarHBondContact O-N 3.08Å; E184-T221 VanDerWaalsContact CA-CG2 3.49Å; E184-T221 HydrophobicContact CB-CG2 4.05Å; E184-T221 HydrophobicContact CG-CG2 3.38Å
185	R	98.4	Very high	98.1	Very high	39 Å²	39	39 Å²	39	15%	0.147	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-39.3	-179.7	70.6	-176.8	-177.9	169.7	-2.3	112.6	D126 F128 E154 S181 N182 F189	D126-R185 VanDerWaalsContact CG-NH1 3.31Å; D126-R185 IonicContact OD1-CZ 3.81Å; D126-R185 IonicContact OD1-NH1 3.63Å; D126-R185 PolarHBondContact OD1-NH1 3.04Å; D126-R185 IonicContact OD1-NH2 3.22Å; D126-R185 IonicContact OD2-NH1 2.76Å; D126-R185 PolarHBondContact OD2-NH1 3.48Å; D126-R185 VanDerWaalsContact OD2-NH1 3.08Å; F128-R185 VanDerWaalsContact CB-NH2 3.29Å; F128-R185 HydrophobicContact CD2-CG 3.87Å; F128-R185 HydrophobicContact CE2-CB 4.34Å; F128-R185 HydrophobicContact CE2-CG 4.13Å; F128-R185 HydrophobicContact CG-CG 4.41Å; E154-R185 IonicContact OE1-NH2 2.66Å; S181-R185 PolarHBondContact O-N 2.66Å; S181-R185 VanDerWaalsContact O-N 3.15Å; N182-R185 VanDerWaalsContact O-CG 3.27Å; N182-R185 WeakPolarHBondContact O-CG 3.28Å; N182-R185 PolarHBondContact OD1-NE 2.81Å; N182-R185 PolarHBondContact OD1-NH2 3.49Å; R185-F189 VanDerWaalsContact O-CB 3.26Å; R185-F189 WeakPolarHBondContact O-CB 3.16Å; R185-F189 PolarHBondContact O-N 2.83Å
186	I	98.7	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.3	-38.8	178.5	-166.7	63.6	0	0	0	111.4	F128 A129 I152 E154 N182 S183 F189 A190 F218 V257	F128-I186 HydrophobicContact CD2-CD1 4.28Å; F128-I186 HydrophobicContact CE2-CD1 4.5Å; A129-I186 HydrophobicContact CB-CD1 3.49Å; A129-I186 VanDerWaalsContact CB-CD1 3.49Å; I152-I186 HydrophobicContact CG2-CD1 3.66Å; I152-I186 HydrophobicContact CG2-CG1 4.22Å; E154-I186 HydrophobicContact CB-CB 4.41Å; E154-I186 HydrophobicContact CB-CG1 4.14Å; E154-I186 HydrophobicContact CB-CG2 4.26Å; E154-I186 HydrophobicContact CG-CB 4.32Å; E154-I186 HydrophobicContact CG-CG2 4.18Å; N182-I186 VanDerWaalsContact O-CG2 3.31Å; N182-I186 WeakPolarHBondContact O-CG2 3.46Å; N182-I186 PolarHBondContact O-N 3.28Å; S183-I186 WeakPolarHBondContact O-CG2 3.28Å; I186-F189 PolarHBondContact O-N 2.98Å; I186-A190 WeakPolarHBondContact O-CB 3.34Å; I186-A190 PolarHBondContact O-N 2.84Å; I186-F218 HydrophobicContact CG2-CE2 3.94Å; I186-V257 HydrophobicContact CG1-CG2 4.08Å
187	A	98.8	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-50	173.3	0	0	0	0	0	110.4	S183 E184 F189 A190 F191 M225	S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 2.97Å; E184-A187 PolarHBondContact O-N 3.38Å; A187-F189 VanDerWaalsContact C-N 3.31Å; A187-F189 PolarHBondContact O-N 2.81Å; A187-A190 PolarHBondContact O-N 3.22Å; A187-A190 VanDerWaalsContact O-N 3.12Å; A187-F191 VanDerWaalsContact O-CD2 3.26Å; A187-F191 WeakPolarHBondContact O-CD2 3.2Å; A187-F191 PolarHBondContact O-N 2.97Å; A187-M225 HydrophobicContact CB-CB 3.95Å; A187-M225 HydrophobicContact CB-CG 4.03Å
188	K	98.7	Very high	98.4	Very high	91 Å²	91	50 Å²	50	40%	0.396	24%	0.236	S	C	.	.	H	α-helix	trans	-56.8	-46.4	176.8	-168.1	-169	-175.1	-42.3	0	111.4	E184 A190 F191 D192 M225 Y229	E184-K188 VanDerWaalsContact O-CB 3.29Å; E184-K188 WeakPolarHBondContact O-CB 3.32Å; E184-K188 PolarHBondContact O-N 3.08Å; K188-A190 VanDerWaalsContact C-N 3.31Å; K188-A190 PolarHBondContact O-N 3.16Å; K188-F191 PolarHBondContact O-N 2.9Å; K188-D192 VanDerWaalsContact NZ-CG 3.31Å; K188-D192 IonicContact NZ-OD1 3.59Å; K188-D192 PolarHBondContact NZ-OD1 3.23Å; K188-D192 IonicContact NZ-OD2 3.73Å; K188-D192 PolarHBondContact NZ-OD2 2.86Å; K188-D192 WeakPolarHBondContact O-CB 3.18Å; K188-D192 PolarHBondContact O-N 2.78Å; K188-M225 HydrophobicContact CB-CE 3.71Å; K188-M225 HydrophobicContact CB-SD 3.85Å; K188-M225 HydrophobicContact CG-CE 4.3Å; K188-M225 HydrophobicContact CG-SD 4.02Å; K188-Y229 PolarHBondContact NZ-OH 3.38Å
189	F	98.7	Very high	98.4	Very high	28 Å²	28	51.1 Å²	51.1	12%	0.123	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-44.1	177.2	179.8	-81.1	0	0	0	111.4	F128 A129 V131 I152 R185 I186 A187 D192 Y193 Y285	F128-F189 HydrophobicContact CE2-CB 3.88Å; F128-F189 HydrophobicContact CE2-CD2 4.15Å; F128-F189 HydrophobicContact CE2-CG 4.16Å; F128-F189 HydrophobicContact CZ-CB 4.3Å; F128-F189 AromaticContact CZ-CD2 3.93Å; F128-F189 HydrophobicContact CZ-CD2 3.93Å; F128-F189 HydrophobicContact CZ-CG 4.39Å; A129-F189 HydrophobicContact CB-CD1 3.79Å; A129-F189 HydrophobicContact CB-CD2 4.12Å; A129-F189 HydrophobicContact CB-CE1 3.9Å; A129-F189 HydrophobicContact CB-CE2 4.18Å; A129-F189 HydrophobicContact CB-CG 3.94Å; A129-F189 HydrophobicContact CB-CZ 4.1Å; V131-F189 HydrophobicContact CG2-CE1 3.46Å; V131-F189 VanDerWaalsContact CG2-CE1 3.46Å; V131-F189 HydrophobicContact CG2-CZ 3.76Å; I152-F189 HydrophobicContact CD1-CD1 4.27Å; I152-F189 HydrophobicContact CD1-CE1 4.18Å; I152-F189 HydrophobicContact CG2-CD1 3.86Å; I152-F189 HydrophobicContact CG2-CE1 4.2Å; R185-F189 VanDerWaalsContact O-CB 3.26Å; R185-F189 WeakPolarHBondContact O-CB 3.16Å; R185-F189 PolarHBondContact O-N 2.83Å; I186-F189 PolarHBondContact O-N 2.98Å; A187-F189 VanDerWaalsContact C-N 3.31Å; A187-F189 PolarHBondContact O-N 2.81Å; F189-D192 PolarHBondContact O-N 2.79Å; F189-Y193 HydrophobicContact CE1-CD2 4.4Å; F189-Y193 WeakPolarHBondContact O-CB 3.29Å; F189-Y193 PolarHBondContact O-N 3.31Å; F189-Y285 HydrophobicContact CE1-CD2 4.44Å; F189-Y285 AromaticContact CE2-CD2 3.93Å; F189-Y285 HydrophobicContact CE2-CD2 3.93Å; F189-Y285 HydrophobicContact CE2-CG 4.12Å; F189-Y285 AromaticContact CZ-CD2 3.42Å; F189-Y285 HydrophobicContact CZ-CD2 3.42Å; F189-Y285 VanDerWaalsContact CZ-CD2 3.42Å; F189-Y285 AromaticContact CZ-CE2 3.96Å; F189-Y285 HydrophobicContact CZ-CE2 3.96Å; F189-Y285 HydrophobicContact CZ-CG 4.08Å
190	A	98.8	Very high	98.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-42.9	179.6	0	0	0	0	0	113	I152 I186 A187 K188 Y193 A194 V255 V257	I152-A190 HydrophobicContact CB-CB 4.4Å; I152-A190 HydrophobicContact CD1-CB 3.88Å; I152-A190 HydrophobicContact CG2-CB 4.18Å; I186-A190 WeakPolarHBondContact O-CB 3.34Å; I186-A190 PolarHBondContact O-N 2.84Å; A187-A190 PolarHBondContact O-N 3.22Å; A187-A190 VanDerWaalsContact O-N 3.12Å; K188-A190 VanDerWaalsContact C-N 3.31Å; K188-A190 PolarHBondContact O-N 3.16Å; A190-Y193 PolarHBondContact O-N 3.22Å; A190-A194 WeakPolarHBondContact O-CB 3.24Å; A190-A194 PolarHBondContact O-N 3.09Å; A190-V255 HydrophobicContact CB-CG1 4.5Å; A190-V257 HydrophobicContact CB-CB 3.74Å; A190-V257 HydrophobicContact CB-CG1 4.38Å; A190-V257 HydrophobicContact CB-CG2 3.72Å
191	F	98.8	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-44.9	175.3	-79	-78.5	0	0	0	112.3	A187 K188 Y193 A194 V195 V202 M225 A226 Y229 I232 F234	A187-F191 VanDerWaalsContact O-CD2 3.26Å; A187-F191 WeakPolarHBondContact O-CD2 3.2Å; A187-F191 PolarHBondContact O-N 2.97Å; K188-F191 PolarHBondContact O-N 2.9Å; F191-Y193 VanDerWaalsContact C-N 3.28Å; F191-Y193 PolarHBondContact O-N 3.19Å; F191-A194 WeakPolarHBondContact O-CB 3.15Å; F191-A194 PolarHBondContact O-N 2.79Å; F191-A194 VanDerWaalsContact O-N 3.13Å; F191-V195 WeakPolarHBondContact O-CG2 3.28Å; F191-V195 PolarHBondContact O-N 3.24Å; F191-V202 HydrophobicContact CD1-CB 4.41Å; F191-V202 HydrophobicContact CD1-CG2 3.99Å; F191-V202 HydrophobicContact CE1-CB 3.95Å; F191-V202 HydrophobicContact CE1-CG1 4.37Å; F191-V202 HydrophobicContact CE1-CG2 4.03Å; F191-V202 HydrophobicContact CE2-CG1 4.27Å; F191-V202 HydrophobicContact CG-CG2 4.49Å; F191-V202 HydrophobicContact CZ-CB 4.11Å; F191-V202 HydrophobicContact CZ-CG1 4.07Å; F191-M225 HydrophobicContact CD2-CB 4.14Å; F191-M225 HydrophobicContact CD2-CG 3.52Å; F191-M225 HydrophobicContact CE2-CB 4.09Å; F191-M225 HydrophobicContact CE2-CG 3.99Å; F191-M225 HydrophobicContact CG-CG 4.38Å; F191-A226 HydrophobicContact CE1-CB 4.11Å; F191-A226 HydrophobicContact CE2-CB 4.22Å; F191-A226 VanDerWaalsContact CZ-CA 3.47Å; F191-A226 HydrophobicContact CZ-CB 3.51Å; F191-Y229 HydrophobicContact CB-CD1 3.84Å; F191-Y229 HydrophobicContact CB-CD2 3.57Å; F191-Y229 HydrophobicContact CB-CE1 3.79Å; F191-Y229 HydrophobicContact CB-CE2 3.57Å; F191-Y229 HydrophobicContact CB-CG 3.73Å; F191-Y229 AromaticContact CD1-CD2 3.97Å; F191-Y229 HydrophobicContact CD1-CD2 3.97Å; F191-Y229 AromaticContact CD1-CG 3.86Å; F191-Y229 HydrophobicContact CD1-CG 3.86Å; F191-Y229 HydrophobicContact CD2-CD2 4.39Å; F191-Y229 AromaticContact CG-CD2 3.74Å; F191-Y229 HydrophobicContact CG-CD2 3.74Å; F191-Y229 HydrophobicContact CG-CE2 4.13Å; F191-Y229 AromaticContact CG-CG 3.99Å; F191-Y229 HydrophobicContact CG-CG 3.99Å; F191-I232 HydrophobicContact CD1-CB 4.12Å; F191-I232 HydrophobicContact CD1-CG2 3.88Å; F191-I232 HydrophobicContact CE1-CB 4.23Å; F191-I232 HydrophobicContact CE1-CG2 3.85Å; F191-F234 HydrophobicContact CE2-CD2 4.48Å; F191-F234 HydrophobicContact CZ-CB 4.43Å; F191-F234 AromaticContact CZ-CD2 3.67Å; F191-F234 HydrophobicContact CZ-CD2 3.67Å; F191-F234 HydrophobicContact CZ-CE2 4.36Å; F191-F234 HydrophobicContact CZ-CG 4.36Å
192	D	98.5	Very high	98.4	Very high	31 Å²	31	52.5 Å²	52.5	17%	0.166	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-41.7	174	-77.2	-12.8	0	0	0	111.4	K188 F189 V195 R196 Y229	K188-D192 VanDerWaalsContact NZ-CG 3.31Å; K188-D192 IonicContact NZ-OD1 3.59Å; K188-D192 PolarHBondContact NZ-OD1 3.23Å; K188-D192 IonicContact NZ-OD2 3.73Å; K188-D192 PolarHBondContact NZ-OD2 2.86Å; K188-D192 WeakPolarHBondContact O-CB 3.18Å; K188-D192 PolarHBondContact O-N 2.78Å; F189-D192 PolarHBondContact O-N 2.79Å; D192-V195 PolarHBondContact O-N 3.49Å; D192-R196 WeakPolarHBondContact O-CB 3.21Å; D192-R196 VanDerWaalsContact O-CG 3.22Å; D192-R196 WeakPolarHBondContact O-CG 3.39Å; D192-R196 PolarHBondContact O-N 3.44Å; D192-Y229 PolarHBondContact OD1-OH 3.36Å
193	Y	98.5	Very high	98.5	Very high	22 Å²	22	51.3 Å²	51.3	9%	0.086	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-45.6	175.4	-179.7	-80.3	0	0	0	110.7	V131 H133 V150 I152 F189 A190 F191 V195 R196 N197 V255	V131-Y193 HydrophobicContact CG1-CD2 4.45Å; V131-Y193 HydrophobicContact CG1-CE2 3.79Å; H133-Y193 PolarHBondContact CD2-OH 3.3Å; H133-Y193 VanDerWaalsContact CD2-OH 3.31Å; H133-Y193 AromaticContact NE2-CZ 3.94Å; H133-Y193 PolarHBondContact NE2-OH 2.61Å; V150-Y193 HydrophobicContact CB-CE1 4.11Å; V150-Y193 HydrophobicContact CG1-CD1 4.47Å; V150-Y193 HydrophobicContact CG1-CE1 3.7Å; V150-Y193 HydrophobicContact CG2-CE1 3.99Å; I152-Y193 HydrophobicContact CD1-CD1 3.91Å; I152-Y193 HydrophobicContact CD1-CD2 4.47Å; I152-Y193 HydrophobicContact CD1-CG 3.82Å; F189-Y193 HydrophobicContact CE1-CD2 4.4Å; F189-Y193 WeakPolarHBondContact O-CB 3.29Å; F189-Y193 PolarHBondContact O-N 3.31Å; A190-Y193 PolarHBondContact O-N 3.22Å; F191-Y193 VanDerWaalsContact C-N 3.28Å; F191-Y193 PolarHBondContact O-N 3.19Å; Y193-V195 PolarHBondContact O-N 3.09Å; Y193-R196 PolarHBondContact O-N 2.66Å; Y193-N197 WeakPolarHBondContact CD2-ND2 3.46Å; Y193-N197 HydrophobicContact CE1-CB 4.15Å; Y193-N197 WeakPolarHBondContact CE2-ND2 3.24Å; Y193-N197 WeakPolarHBondContact O-CB 3.43Å; Y193-N197 PolarHBondContact O-N 3.13Å; Y193-N197 PolarHBondContact O-ND2 3.07Å; Y193-V255 HydrophobicContact CD1-CG2 4.17Å; Y193-V255 HydrophobicContact CE1-CG2 4.38Å
194	A	98.7	Very high	98.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.1	-47.1	179.4	0	0	0	0	0	111.4	A190 F191 N197 K198 R199 V202 I232 V255	A190-A194 WeakPolarHBondContact O-CB 3.24Å; A190-A194 PolarHBondContact O-N 3.09Å; F191-A194 WeakPolarHBondContact O-CB 3.15Å; F191-A194 PolarHBondContact O-N 2.79Å; F191-A194 VanDerWaalsContact O-N 3.13Å; A194-N197 PolarHBondContact O-N 2.99Å; A194-K198 PolarHBondContact O-N 3.47Å; A194-K198 VanDerWaalsContact O-N 3.14Å; A194-R199 HydrophobicContact CB-CB 3.99Å; A194-R199 WeakPolarHBondContact O-CB 3.37Å; A194-R199 PolarHBondContact O-N 3.47Å; A194-V202 HydrophobicContact CB-CG2 3.81Å; A194-I232 HydrophobicContact CB-CD1 4.18Å; A194-I232 HydrophobicContact CB-CG2 4.43Å; A194-V255 HydrophobicContact CB-CG2 4.1Å
195	V	98.4	Very high	98.5	Very high	63 Å²	63	47.1 Å²	47.1	38%	0.382	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-51.5	176.8	177.6	0	0	0	0	111.6	F191 D192 Y193 N197 K198 Y229 H231 I232	F191-V195 WeakPolarHBondContact O-CG2 3.28Å; F191-V195 PolarHBondContact O-N 3.24Å; D192-V195 PolarHBondContact O-N 3.49Å; Y193-V195 PolarHBondContact O-N 3.09Å; V195-N197 VanDerWaalsContact C-N 3.26Å; V195-N197 PolarHBondContact O-N 2.86Å; V195-K198 PolarHBondContact O-N 2.8Å; V195-K198 VanDerWaalsContact O-N 3.15Å; V195-Y229 HydrophobicContact CG2-CD1 3.84Å; V195-Y229 HydrophobicContact CG2-CE1 4.23Å; V195-H231 VanDerWaalsContact CG2-NE2 3.26Å; V195-H231 WeakPolarHBondContact CG2-NE2 3.39Å; V195-I232 HydrophobicContact CG2-CD1 4.16Å; V195-I232 HydrophobicContact CG2-CG1 4.07Å
196	R	97.1	Very high	98.5	Very high	161 Å²	161	45.9 Å²	45.9	61%	0.608	20%	0.198	S	C	*	.	H	α-helix	trans	-61.3	-34.8	-176.9	-72.7	172.3	-173.5	-178.5	3.5	112.7	D192 Y193	D192-R196 WeakPolarHBondContact O-CB 3.21Å; D192-R196 VanDerWaalsContact O-CG 3.22Å; D192-R196 WeakPolarHBondContact O-CG 3.39Å; D192-R196 PolarHBondContact O-N 3.44Å; Y193-R196 PolarHBondContact O-N 2.66Å
197	N	97.4	Very high	98.5	Very high	77 Å²	77	47.9 Å²	47.9	41%	0.412	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	13.6	-178.3	-64.7	-80.3	0	0	0	113.1	Y193 A194 V195 R199	Y193-N197 WeakPolarHBondContact CD2-ND2 3.46Å; Y193-N197 HydrophobicContact CE1-CB 4.15Å; Y193-N197 WeakPolarHBondContact CE2-ND2 3.24Å; Y193-N197 WeakPolarHBondContact O-CB 3.43Å; Y193-N197 PolarHBondContact O-N 3.13Å; Y193-N197 PolarHBondContact O-ND2 3.07Å; A194-N197 PolarHBondContact O-N 2.99Å; V195-N197 VanDerWaalsContact C-N 3.26Å; V195-N197 PolarHBondContact O-N 2.86Å; N197-R199 HydrophobicContact CB-CG 4.06Å; N197-R199 PolarHBondContact O-N 3.39Å; N197-R199 VanDerWaalsContact O-N 3.14Å
198	K	98	Very high	98.5	Very high	188 Å²	188	48.8 Å²	48.8	82%	0.817	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	31.7	178	-55.5	175	-177.7	174.9	0	113.3	A194 V195	A194-K198 PolarHBondContact O-N 3.47Å; A194-K198 VanDerWaalsContact O-N 3.14Å; V195-K198 PolarHBondContact O-N 2.8Å; V195-K198 VanDerWaalsContact O-N 3.15Å
199	R	98.5	Very high	98.4	Very high	48 Å²	48	48 Å²	48	18%	0.181	21%	0.214	C	C	.	.			trans	-78.7	156.7	172.4	-59.4	-84.4	170.9	-159.9	0.7	108.8	D148 A194 N197 I232 D254 V255	D148-R199 PolarHBondContact O-NH1 3.39Å; D148-R199 IonicContact OD1-CZ 3.22Å; D148-R199 IonicContact OD1-NH1 3.84Å; D148-R199 IonicContact OD1-NH2 3.56Å; D148-R199 PolarHBondContact OD1-NH2 2.85Å; D148-R199 IonicContact OD2-CZ 2.79Å; D148-R199 VanDerWaalsContact OD2-CZ 3.25Å; D148-R199 IonicContact OD2-NH1 2.6Å; D148-R199 PolarHBondContact OD2-NH1 2.74Å; D148-R199 IonicContact OD2-NH2 2.73Å; D148-R199 PolarHBondContact OD2-NH2 3.4Å; A194-R199 HydrophobicContact CB-CB 3.99Å; A194-R199 WeakPolarHBondContact O-CB 3.37Å; A194-R199 PolarHBondContact O-N 3.47Å; N197-R199 HydrophobicContact CB-CG 4.06Å; N197-R199 PolarHBondContact O-N 3.39Å; N197-R199 VanDerWaalsContact O-N 3.14Å; R199-I232 WeakPolarHBondContact O-CD1 3.35Å; R199-D254 WeakPolarHBondContact CD-OD1 3.25Å; R199-D254 IonicContact CZ-OD1 2.72Å; R199-D254 IonicContact NE-OD1 2.85Å; R199-D254 IonicContact NH1-OD1 2.93Å; R199-D254 PolarHBondContact NH1-OD1 3.13Å; R199-V255 HydrophobicContact CB-CG2 3.76Å; R199-V255 HydrophobicContact CG-CG2 3.7Å
200	R	98.3	Very high	98.4	Very high	204 Å²	204	52.5 Å²	52.5	77%	0.77	24%	0.238	S	C	*	.			trans	-114.8	-21.9	-170.7	-61.7	-177.4	-176.4	-175.3	0.8	113.2	Q233 D254	R200-Q233 PolarHBondContact O-N 3.41Å; R200-D254 PolarHBondContact N-OD2 3.05Å
201	K	98.7	Very high	98.3	Very high	37 Å²	37	55 Å²	55	16%	0.161	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140	-175	-178	169.7	66.6	-175.8	0	113	Q233 Q252 D254 V255	K201-Q233 CarbonylContact C-O 3.39Å; K201-Q233 VanDerWaalsContact CA-O 3.28Å; K201-Q233 WeakPolarHBondContact CA-O 3.21Å; K201-Q233 HydrophobicContact CB-CB 4.17Å; K201-Q233 HydrophobicContact CD-CG 4.28Å; K201-Q233 HydrophobicContact CG-CB 4.19Å; K201-Q233 HydrophobicContact CG-CG 4.26Å; K201-Q252 WeakPolarHBondContact CE-O 3.31Å; K201-Q252 PolarHBondContact NZ-O 2.92Å; K201-D254 HydrophobicContact CB-CB 3.98Å; K201-D254 PolarHBondContact N-OD2 3.25Å; K201-D254 WeakPolarHBondContact O-CB 3.18Å; K201-V255 WeakPolarHBondContact O-CB 3.28Å; K201-V255 PolarHBondContact O-N 3.09Å
202	V	98.9	Very high	98.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.5	170	175.6	0	0	0	0	109.3	F191 A194 I232 Q233 F234 N235 V255 V257	F191-V202 HydrophobicContact CD1-CB 4.41Å; F191-V202 HydrophobicContact CD1-CG2 3.99Å; F191-V202 HydrophobicContact CE1-CB 3.95Å; F191-V202 HydrophobicContact CE1-CG1 4.37Å; F191-V202 HydrophobicContact CE1-CG2 4.03Å; F191-V202 HydrophobicContact CE2-CG1 4.27Å; F191-V202 HydrophobicContact CG-CG2 4.49Å; F191-V202 HydrophobicContact CZ-CB 4.11Å; F191-V202 HydrophobicContact CZ-CG1 4.07Å; A194-V202 HydrophobicContact CB-CG2 3.81Å; V202-I232 HydrophobicContact CB-CG2 4.21Å; V202-I232 HydrophobicContact CG2-CG2 3.67Å; V202-Q233 PolarHBondContact N-O 2.8Å; V202-F234 WeakPolarHBondContact O-CA 3.23Å; V202-N235 PolarHBondContact O-N 2.99Å; V202-N235 VanDerWaalsContact O-N 3.16Å; V202-V255 CarbonylContact C-O 3.51Å; V202-V255 VanDerWaalsContact CA-O 3.27Å; V202-V255 WeakPolarHBondContact CA-O 3.33Å; V202-V255 HydrophobicContact CG2-CB 4.05Å; V202-V255 HydrophobicContact CG2-CG1 4.22Å; V202-V257 HydrophobicContact CG1-CG1 3.87Å
203	T	98.9	Very high	98.2	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.4	174.9	-57.5	0	0	0	0	110.5	V205 N235 M237 F253 V255 M256 V257	T203-V205 HydrophobicContact CG2-CG2 4.32Å; T203-N235 WeakPolarHBondContact CA-O 3.28Å; T203-N235 VanDerWaalsContact CA-OD1 3.23Å; T203-N235 WeakPolarHBondContact CA-OD1 3.45Å; T203-N235 WeakPolarHBondContact CB-OD1 3.46Å; T203-N235 VanDerWaalsContact CG2-OD1 3.32Å; T203-N235 WeakPolarHBondContact CG2-OD1 3.15Å; T203-N235 PolarHBondContact OG1-OD1 3.21Å; T203-M237 HydrophobicContact CG2-CB 3.96Å; T203-F253 HydrophobicContact CG2-CE1 4.34Å; T203-V255 PolarHBondContact N-O 3.43Å; T203-M256 CarbonylContact O-C 3.57Å; T203-M256 WeakPolarHBondContact O-CA 3.4Å; T203-V257 PolarHBondContact O-N 3.43Å
204	A	98.9	Very high	98.2	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.2	171.6	0	0	0	0	0	110.7	H206 F218 L219 C222 F234 N235 S236 M237 V257	A204-H206 PolarHBondContact O-CD2 3.21Å; A204-F218 HydrophobicContact CB-CE1 4.5Å; A204-L219 HydrophobicContact CB-CD1 4.44Å; A204-C222 HydrophobicContact CB-CB 3.87Å; A204-F234 HydrophobicContact CB-CE2 3.79Å; A204-F234 HydrophobicContact CB-CZ 3.95Å; A204-N235 PolarHBondContact N-O 3.16Å; A204-S236 CarbonylContact O-C 3.55Å; A204-S236 VanDerWaalsContact O-CA 3.22Å; A204-S236 WeakPolarHBondContact O-CA 3.47Å; A204-M237 PolarHBondContact O-N 3.24Å; A204-V257 CarbonylContact C-O 3.58Å; A204-V257 WeakPolarHBondContact CA-O 3.47Å; A204-V257 HydrophobicContact CB-CG1 4.14Å
205	V	98.9	Very high	98.2	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.7	179.1	-173.7	0	0	0	0	110.8	T203 M237 I239 C242 M256 V257 M258 P259	T203-V205 HydrophobicContact CG2-CG2 4.32Å; V205-M237 VanDerWaalsContact CA-O 3.32Å; V205-M237 WeakPolarHBondContact CA-O 3.25Å; V205-I239 HydrophobicContact CG1-CB 3.86Å; V205-I239 HydrophobicContact CG1-CD1 3.64Å; V205-I239 HydrophobicContact CG1-CG1 4.33Å; V205-C242 HydrophobicContact CG1-CB 3.8Å; V205-C242 HydrophobicContact CG2-CB 4.43Å; V205-M256 HydrophobicContact CG2-CE 3.86Å; V205-V257 PolarHBondContact N-O 2.75Å; V205-M258 HydrophobicContact CB-CB 3.91Å; V205-M258 HydrophobicContact CB-CE 4.06Å; V205-M258 HydrophobicContact CB-SD 4.36Å; V205-M258 HydrophobicContact CG2-CE 3.78Å; V205-P259 VanDerWaalsContact O-CD 3.29Å; V205-P259 WeakPolarHBondContact O-CD 3.3Å
206	H	98.6	Very high	98.2	Very high	12 Å²	12	66.9 Å²	66.9	6%	0.056	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	176	-170.8	64.9	98.5	0	0	0	112.3	A204 A208 D215 M237 I238 I239	A204-H206 PolarHBondContact O-CD2 3.21Å; H206-A208 WeakPolarHBondContact ND1-CB 3.34Å; H206-A208 PolarHBondContact ND1-N 3.48Å; H206-A208 VanDerWaalsContact ND1-N 3.12Å; H206-D215 HydrophobicContact CB-CB 4.38Å; H206-M237 PolarHBondContact CD2-O 2.82Å; H206-M237 PolarHBondContact N-O 3.39Å; H206-M237 VanDerWaalsContact N-O 3.12Å; H206-I238 CarbonylContact O-C 3.4Å; H206-I238 WeakPolarHBondContact O-CA 3.44Å; H206-I239 PolarHBondContact O-N 2.79Å
207	K	98.3	Very high	98.3	Very high	43 Å²	43	60.9 Å²	60.9	19%	0.187	29%	0.292	C	S	.	.			trans	-128.6	37.6	168.9	-161	79.5	-170.8	-174.5	0	111.3	N209 I210 M211 D215 I238 I239 D240 Y262	K207-N209 PolarHBondContact O-N 3.38Å; K207-N209 PolarHBondContact O-OD1 2.78Å; K207-I210 HydrophobicContact CG-CB 4.21Å; K207-I210 HydrophobicContact CG-CG1 4.24Å; K207-I210 PolarHBondContact O-N 3.42Å; K207-M211 HydrophobicContact CB-CE 3.93Å; K207-M211 HydrophobicContact CG-CE 4.43Å; K207-M211 PolarHBondContact O-N 3.3Å; K207-D215 WeakPolarHBondContact CA-OD2 3.42Å; K207-D215 WeakPolarHBondContact CB-OD2 3.17Å; K207-D215 PolarHBondContact N-OD2 3.22Å; K207-I238 HydrophobicContact CD-CG2 3.72Å; K207-I239 HydrophobicContact CB-CG2 3.98Å; K207-I239 HydrophobicContact CD-CG2 3.46Å; K207-I239 VanDerWaalsContact CD-CG2 3.46Å; K207-I239 HydrophobicContact CG-CG2 4.26Å; K207-D240 IonicContact NZ-OD1 3.42Å; K207-D240 IonicContact NZ-OD2 2.77Å; K207-D240 PolarHBondContact NZ-OD2 3.4Å; K207-Y262 HydrophobicContact CB-CE2 4.28Å; K207-Y262 VanDerWaalsContact CB-OH 3.3Å; K207-Y262 WeakPolarHBondContact CB-OH 3.21Å
208	A	97.9	Very high	98.3	Very high	18 Å²	18	57.4 Å²	57.4	15%	0.149	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.3	-177.1	0	0	0	0	0	114.5	H206 I210 D215 L219	H206-A208 WeakPolarHBondContact ND1-CB 3.34Å; H206-A208 PolarHBondContact ND1-N 3.48Å; H206-A208 VanDerWaalsContact ND1-N 3.12Å; A208-I210 VanDerWaalsContact C-N 3.26Å; A208-I210 PolarHBondContact O-N 3.25Å; A208-D215 HydrophobicContact CB-CB 4.04Å; A208-L219 HydrophobicContact CB-CD2 4.26Å
209	N	97.5	Very high	98.4	Very high	75 Å²	75	49.6 Å²	49.6	40%	0.401	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.4	171.5	63.4	-37.8	0	0	0	112.9	K207 I238	K207-N209 PolarHBondContact O-N 3.38Å; K207-N209 PolarHBondContact O-OD1 2.78Å; N209-I238 HydrophobicContact CB-CD1 4.06Å; N209-I238 WeakPolarHBondContact OD1-CG2 3.44Å
210	I	97.9	Very high	98.4	Very high	122 Å²	122	50.9 Å²	50.9	63%	0.626	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-52.5	175.1	-56.3	-58.4	0	0	0	110	K207 A208 K212	K207-I210 HydrophobicContact CG-CB 4.21Å; K207-I210 HydrophobicContact CG-CG1 4.24Å; K207-I210 PolarHBondContact O-N 3.42Å; A208-I210 VanDerWaalsContact C-N 3.26Å; A208-I210 PolarHBondContact O-N 3.25Å; I210-K212 PolarHBondContact O-N 2.92Å; I210-K212 VanDerWaalsContact O-N 3.15Å
211	M	97.5	Very high	98.4	Very high	53 Å²	53	41.3 Å²	41.3	26%	0.261	21%	0.212	S	C	.	.			trans	-90.1	71.6	-179.6	-81.8	-178.4	-71.3	0	0	111.6	K176 K207 L213 S214 D215 G216 Y262	K176-M211 HydrophobicContact CD-SD 3.73Å; K176-M211 PolarHBondContact NZ-SD 3.02Å; K176-M211 VanDerWaalsContact NZ-SD 3.37Å; K207-M211 HydrophobicContact CB-CE 3.93Å; K207-M211 HydrophobicContact CG-CE 4.43Å; K207-M211 PolarHBondContact O-N 3.3Å; M211-L213 PolarHBondContact O-N 2.56Å; M211-S214 WeakPolarHBondContact CB-OG 3.43Å; M211-D215 HydrophobicContact CB-CB 3.97Å; M211-D215 WeakPolarHBondContact O-CB 3.39Å; M211-D215 PolarHBondContact O-N 3.25Å; M211-D215 VanDerWaalsContact O-N 3.16Å; M211-G216 PolarHBondContact O-N 3.19Å; M211-Y262 WeakPolarHBondContact CE-OH 3.31Å
212	K	97.7	Very high	98.4	Very high	163 Å²	163	39.6 Å²	39.6	71%	0.709	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.3	-172.5	-62.3	-177.7	-177.7	179.9	0	114.4	I210 G216	I210-K212 PolarHBondContact O-N 2.92Å; I210-K212 VanDerWaalsContact O-N 3.15Å; K212-G216 WeakPolarHBondContact O-CA 3.48Å
213	L	98.1	Very high	98.4	Very high	155 Å²	155	43.5 Å²	43.5	81%	0.812	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-60.2	-178.8	-62.7	-179.6	0	0	0	112.3	M211 L217	M211-L213 PolarHBondContact O-N 2.56Å; L213-L217 VanDerWaalsContact O-CB 3.23Å; L213-L217 WeakPolarHBondContact O-CB 3.26Å; L213-L217 PolarHBondContact O-N 2.88Å
214	S	97.8	Very high	98.4	Very high	29 Å²	29	46.4 Å²	46.4	20%	0.203	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-55.3	-175.5	46.1	0	0	0	0	112.1	M211 L217 F218	M211-S214 WeakPolarHBondContact CB-OG 3.43Å; S214-L217 PolarHBondContact O-N 2.91Å; S214-F218 PolarHBondContact O-N 3.42Å
215	D	98.4	Very high	98.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-78	-24.7	178.4	-77.9	26.5	0	0	0	112.6	K176 H206 K207 A208 M211 F218 L219 Y262	K176-D215 WeakPolarHBondContact CE-OD1 3.39Å; K176-D215 IonicContact NZ-OD1 2.76Å; K176-D215 PolarHBondContact NZ-OD1 3.48Å; K176-D215 IonicContact NZ-OD2 3.3Å; H206-D215 HydrophobicContact CB-CB 4.38Å; K207-D215 WeakPolarHBondContact CA-OD2 3.42Å; K207-D215 WeakPolarHBondContact CB-OD2 3.17Å; K207-D215 PolarHBondContact N-OD2 3.22Å; A208-D215 HydrophobicContact CB-CB 4.04Å; M211-D215 HydrophobicContact CB-CB 3.97Å; M211-D215 WeakPolarHBondContact O-CB 3.39Å; M211-D215 PolarHBondContact O-N 3.25Å; M211-D215 VanDerWaalsContact O-N 3.16Å; D215-F218 PolarHBondContact O-N 3.18Å; D215-L219 WeakPolarHBondContact O-CB 3.48Å; D215-L219 PolarHBondContact O-N 3.34Å; D215-Y262 VanDerWaalsContact OD2-CE2 3.24Å; D215-Y262 WeakPolarHBondContact OD2-CE2 3.49Å; D215-Y262 PolarHBondContact OD2-OH 2.66Å
216	G	98.5	Very high	98.3	Very high	18 Å²	18	48.1 Å²	48.1	19%	0.186	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-45.2	169.6	0	0	0	0	0	111.8	M211 K212 F218 L219 E220	M211-G216 PolarHBondContact O-N 3.19Å; K212-G216 WeakPolarHBondContact O-CA 3.48Å; G216-F218 PolarHBondContact O-N 2.97Å; G216-L219 PolarHBondContact O-N 3.12Å; G216-E220 VanDerWaalsContact O-CB 3.3Å; G216-E220 WeakPolarHBondContact O-CB 3.49Å; G216-E220 PolarHBondContact O-N 3Å
217	L	98.7	Very high	98.3	Very high	36 Å²	36	54.8 Å²	54.8	19%	0.188	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-45.8	174.8	175.9	62.4	0	0	0	111.7	I178 R180 L213 S214 T221	I178-L217 HydrophobicContact CG2-CD2 4.42Å; R180-L217 HydrophobicContact CB-CD1 4.17Å; R180-L217 HydrophobicContact CB-CD2 4.45Å; R180-L217 HydrophobicContact CG-CD1 4.38Å; R180-L217 VanDerWaalsContact CZ-CD1 3.41Å; L213-L217 VanDerWaalsContact O-CB 3.23Å; L213-L217 WeakPolarHBondContact O-CB 3.26Å; L213-L217 PolarHBondContact O-N 2.88Å; S214-L217 PolarHBondContact O-N 2.91Å; L217-T221 VanDerWaalsContact O-CB 3.27Å; L217-T221 WeakPolarHBondContact O-CB 3.36Å; L217-T221 PolarHBondContact O-N 3.42Å; L217-T221 PolarHBondContact O-OG1 2.83Å
218	F	98.8	Very high	98.3	Very high	3 Å²	3	58.8 Å²	58.8	1%	0.013	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-46.9	176.5	178.1	-92.9	0	0	0	111.9	I178 I186 A204 S214 D215 G216 T221 C222 V257 P259	I178-F218 HydrophobicContact CG2-CB 4.45Å; I186-F218 HydrophobicContact CG2-CE2 3.94Å; A204-F218 HydrophobicContact CB-CE1 4.5Å; S214-F218 PolarHBondContact O-N 3.42Å; D215-F218 PolarHBondContact O-N 3.18Å; G216-F218 PolarHBondContact O-N 2.97Å; F218-T221 WeakPolarHBondContact O-CB 3.26Å; F218-T221 PolarHBondContact O-N 2.83Å; F218-C222 PolarHBondContact O-N 2.76Å; F218-C222 PolarHBondContact O-SG 3.43Å; F218-V257 HydrophobicContact CZ-CG2 4.26Å; F218-P259 HydrophobicContact CB-CG 4.5Å; F218-P259 HydrophobicContact CD1-CG 3.96Å; F218-P259 HydrophobicContact CD2-CG 3.98Å; F218-P259 HydrophobicContact CE1-CG 4.17Å; F218-P259 HydrophobicContact CE2-CG 4.17Å; F218-P259 HydrophobicContact CG-CG 3.87Å; F218-P259 HydrophobicContact CZ-CG 4.27Å
219	L	98.7	Very high	98.4	Very high	24 Å²	24	59 Å²	59	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-48.4	179.8	175.4	62.6	0	0	0	112	A204 A208 D215 G216 T221 C222 Q223 S236	A204-L219 HydrophobicContact CB-CD1 4.44Å; A208-L219 HydrophobicContact CB-CD2 4.26Å; D215-L219 WeakPolarHBondContact O-CB 3.48Å; D215-L219 PolarHBondContact O-N 3.34Å; G216-L219 PolarHBondContact O-N 3.12Å; L219-T221 VanDerWaalsContact C-N 3.25Å; L219-T221 PolarHBondContact O-N 2.95Å; L219-C222 PolarHBondContact O-N 2.92Å; L219-Q223 HydrophobicContact CD1-CG 4.33Å; L219-Q223 WeakPolarHBondContact O-CG 3.39Å; L219-Q223 PolarHBondContact O-N 3.12Å; L219-S236 VanDerWaalsContact CD1-CB 3.4Å
220	E	98.7	Very high	98.3	Very high	76 Å²	76	61.1 Å²	61.1	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-56.6	-43.2	176.5	-174.5	-147.6	125.5	0	0	110.5	R180 G216 Q223 N224	R180-E220 IonicContact CZ-OE1 2.89Å; R180-E220 IonicContact NH1-OE1 2.67Å; R180-E220 PolarHBondContact NH1-OE1 3.45Å; R180-E220 IonicContact NH2-OE1 3.95Å; R180-E220 PolarHBondContact NH2-OE1 3.35Å; R180-E220 IonicContact NH2-OE2 3.35Å; R180-E220 PolarHBondContact NH2-OE2 3.04Å; G216-E220 VanDerWaalsContact O-CB 3.3Å; G216-E220 WeakPolarHBondContact O-CB 3.49Å; G216-E220 PolarHBondContact O-N 3Å; E220-Q223 WeakPolarHBondContact O-CB 3.39Å; E220-Q223 PolarHBondContact O-N 2.92Å; E220-N224 WeakPolarHBondContact O-CB 3.24Å; E220-N224 PolarHBondContact O-N 2.78Å; E220-N224 PolarHBondContact O-ND2 2.87Å; E220-N224 PolarHBondContact OE1-ND2 2.98Å
221	T	98.7	Very high	98.3	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-45.1	177.9	-61.2	0	0	0	0	111.9	S183 E184 L217 F218 L219 N224 M225	S183-T221 VanDerWaalsContact C-CG2 3.48Å; E184-T221 VanDerWaalsContact CA-CG2 3.49Å; E184-T221 HydrophobicContact CB-CG2 4.05Å; E184-T221 HydrophobicContact CG-CG2 3.38Å; L217-T221 VanDerWaalsContact O-CB 3.27Å; L217-T221 WeakPolarHBondContact O-CB 3.36Å; L217-T221 PolarHBondContact O-N 3.42Å; L217-T221 PolarHBondContact O-OG1 2.83Å; F218-T221 WeakPolarHBondContact O-CB 3.26Å; F218-T221 PolarHBondContact O-N 2.83Å; L219-T221 VanDerWaalsContact C-N 3.25Å; L219-T221 PolarHBondContact O-N 2.95Å; T221-N224 PolarHBondContact O-N 2.94Å; T221-M225 WeakPolarHBondContact O-CB 3.27Å; T221-M225 PolarHBondContact O-N 2.91Å
222	C	98.8	Very high	98.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-41.7	175.5	-66.9	0	0	0	0	112.1	A204 F218 L219 M225 A226 F234	A204-C222 HydrophobicContact CB-CB 3.87Å; F218-C222 PolarHBondContact O-N 2.76Å; F218-C222 PolarHBondContact O-SG 3.43Å; L219-C222 PolarHBondContact O-N 2.92Å; C222-M225 PolarHBondContact O-N 3.15Å; C222-A226 WeakPolarHBondContact O-CB 3.45Å; C222-A226 PolarHBondContact O-N 2.85Å; C222-F234 HydrophobicContact CB-CE2 3.95Å; C222-F234 HydrophobicContact CB-CZ 4.07Å
223	Q	98.7	Very high	98.4	Very high	83 Å²	83	57.3 Å²	57.3	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-42.3	176	-76.3	171.3	-14.6	0	0	112.1	L219 E220 A226 F234	L219-Q223 HydrophobicContact CD1-CG 4.33Å; L219-Q223 WeakPolarHBondContact O-CG 3.39Å; L219-Q223 PolarHBondContact O-N 3.12Å; E220-Q223 WeakPolarHBondContact O-CB 3.39Å; E220-Q223 PolarHBondContact O-N 2.92Å; Q223-A226 WeakPolarHBondContact O-CB 3.5Å; Q223-A226 PolarHBondContact O-N 2.93Å; Q223-F234 HydrophobicContact CB-CE1 4.35Å; Q223-F234 HydrophobicContact CG-CE1 3.51Å; Q223-F234 HydrophobicContact CG-CZ 3.84Å
224	N	98.6	Very high	98.4	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-67.1	-41	176.5	-73.9	-28.4	0	0	0	111.6	E220 T221 A226 K227	E220-N224 WeakPolarHBondContact O-CB 3.24Å; E220-N224 PolarHBondContact O-N 2.78Å; E220-N224 PolarHBondContact O-ND2 2.87Å; E220-N224 PolarHBondContact OE1-ND2 2.98Å; T221-N224 PolarHBondContact O-N 2.94Å; N224-A226 VanDerWaalsContact C-N 3.34Å; N224-A226 PolarHBondContact O-N 2.81Å; N224-K227 WeakPolarHBondContact O-CB 3.44Å; N224-K227 PolarHBondContact O-N 2.87Å; N224-K227 PolarHBondContact OD1-NZ 3.05Å
225	M	98.6	Very high	98.5	Very high	22 Å²	22	53.4 Å²	53.4	11%	0.108	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-41.8	174.8	-170.6	60.5	58.5	0	0	111.8	A187 K188 F191 T221 C222 K227 L228 Y229	A187-M225 HydrophobicContact CB-CB 3.95Å; A187-M225 HydrophobicContact CB-CG 4.03Å; K188-M225 HydrophobicContact CB-CE 3.71Å; K188-M225 HydrophobicContact CB-SD 3.85Å; K188-M225 HydrophobicContact CG-CE 4.3Å; K188-M225 HydrophobicContact CG-SD 4.02Å; F191-M225 HydrophobicContact CD2-CB 4.14Å; F191-M225 HydrophobicContact CD2-CG 3.52Å; F191-M225 HydrophobicContact CE2-CB 4.09Å; F191-M225 HydrophobicContact CE2-CG 3.99Å; F191-M225 HydrophobicContact CG-CG 4.38Å; T221-M225 WeakPolarHBondContact O-CB 3.27Å; T221-M225 PolarHBondContact O-N 2.91Å; C222-M225 PolarHBondContact O-N 3.15Å; M225-K227 PolarHBondContact O-N 2.74Å; M225-K227 VanDerWaalsContact O-N 3.12Å; M225-L228 WeakPolarHBondContact O-CB 3.42Å; M225-L228 PolarHBondContact O-N 2.88Å; M225-L228 HydrophobicContact SD-CD1 4Å; M225-Y229 HydrophobicContact CG-CE2 4.12Å; M225-Y229 WeakPolarHBondContact O-CD2 3.38Å; M225-Y229 HydrophobicContact SD-CE2 3.83Å
226	A	98.7	Very high	98.5	Very high	14 Å²	14	55.8 Å²	55.8	12%	0.116	29%	0.289	C	S	.	.	H	α-helix	trans	-55.1	-32.3	179.6	0	0	0	0	0	113.5	F191 C222 Q223 N224 L228 Y229 F234	F191-A226 HydrophobicContact CE1-CB 4.11Å; F191-A226 HydrophobicContact CE2-CB 4.22Å; F191-A226 VanDerWaalsContact CZ-CA 3.47Å; F191-A226 HydrophobicContact CZ-CB 3.51Å; C222-A226 WeakPolarHBondContact O-CB 3.45Å; C222-A226 PolarHBondContact O-N 2.85Å; Q223-A226 WeakPolarHBondContact O-CB 3.5Å; Q223-A226 PolarHBondContact O-N 2.93Å; N224-A226 VanDerWaalsContact C-N 3.34Å; N224-A226 PolarHBondContact O-N 2.81Å; A226-L228 PolarHBondContact O-N 3.32Å; A226-Y229 CarbonylContact O-C 3.56Å; A226-Y229 PolarHBondContact O-N 2.92Å; A226-F234 HydrophobicContact CB-CB 3.71Å; A226-F234 HydrophobicContact CB-CD1 4.06Å; A226-F234 HydrophobicContact CB-CD2 3.95Å; A226-F234 HydrophobicContact CB-CG 3.61Å
227	K	98.6	Very high	98.5	Very high	151 Å²	151	55.8 Å²	55.8	66%	0.657	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.4	177.7	-62.9	169.6	-176.1	165.4	0	112.8	N224 M225 Y229	N224-K227 WeakPolarHBondContact O-CB 3.44Å; N224-K227 PolarHBondContact O-N 2.87Å; N224-K227 PolarHBondContact OD1-NZ 3.05Å; M225-K227 PolarHBondContact O-N 2.74Å; M225-K227 VanDerWaalsContact O-N 3.12Å; K227-Y229 VanDerWaalsContact C-N 3.33Å
228	L	98.3	Very high	98.5	Very high	127 Å²	127	56.5 Å²	56.5	67%	0.665	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.5	177.8	-55.7	-180	0	0	0	113	M225 A226 P230	M225-L228 WeakPolarHBondContact O-CB 3.42Å; M225-L228 PolarHBondContact O-N 2.88Å; M225-L228 HydrophobicContact SD-CD1 4Å; A226-L228 PolarHBondContact O-N 3.32Å; L228-P230 VanDerWaalsContact C-CD 3.46Å; L228-P230 WeakPolarHBondContact O-CD 3.14Å
229	Y	98.4	Very high	98.4	Very high	24 Å²	24	57.1 Å²	57.1	9%	0.094	29%	0.291	C	S	.	.			trans	-126.6	62.7	-175.9	-59.9	-98.4	0	0	0	111.2	K188 F191 D192 V195 M225 A226 K227 H231 I232	K188-Y229 PolarHBondContact NZ-OH 3.38Å; F191-Y229 HydrophobicContact CB-CD1 3.84Å; F191-Y229 HydrophobicContact CB-CD2 3.57Å; F191-Y229 HydrophobicContact CB-CE1 3.79Å; F191-Y229 HydrophobicContact CB-CE2 3.57Å; F191-Y229 HydrophobicContact CB-CG 3.73Å; F191-Y229 AromaticContact CD1-CD2 3.97Å; F191-Y229 HydrophobicContact CD1-CD2 3.97Å; F191-Y229 AromaticContact CD1-CG 3.86Å; F191-Y229 HydrophobicContact CD1-CG 3.86Å; F191-Y229 HydrophobicContact CD2-CD2 4.39Å; F191-Y229 AromaticContact CG-CD2 3.74Å; F191-Y229 HydrophobicContact CG-CD2 3.74Å; F191-Y229 HydrophobicContact CG-CE2 4.13Å; F191-Y229 AromaticContact CG-CG 3.99Å; F191-Y229 HydrophobicContact CG-CG 3.99Å; D192-Y229 PolarHBondContact OD1-OH 3.36Å; V195-Y229 HydrophobicContact CG2-CD1 3.84Å; V195-Y229 HydrophobicContact CG2-CE1 4.23Å; M225-Y229 HydrophobicContact CG-CE2 4.12Å; M225-Y229 WeakPolarHBondContact O-CD2 3.38Å; M225-Y229 HydrophobicContact SD-CE2 3.83Å; A226-Y229 CarbonylContact O-C 3.56Å; A226-Y229 PolarHBondContact O-N 2.92Å; K227-Y229 VanDerWaalsContact C-N 3.33Å; Y229-H231 PolarHBondContact O-N 3.15Å; Y229-I232 PolarHBondContact O-N 2.91Å
230	P	97	Very high	98.4	Very high	118 Å²	118	59.9 Å²	59.9	77%	0.766	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-14.7	-171.5	25.9	-36.3	0	0	0	114.9	L228	L228-P230 VanDerWaalsContact C-CD 3.46Å; L228-P230 WeakPolarHBondContact O-CD 3.14Å
231	H	97.1	Very high	98.4	Very high	127 Å²	127	59.1 Å²	59.1	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.7	177.5	57.9	-81.9	0	0	0	113.5	V195 Y229	V195-H231 VanDerWaalsContact CG2-NE2 3.26Å; V195-H231 WeakPolarHBondContact CG2-NE2 3.39Å; Y229-H231 PolarHBondContact O-N 3.15Å
232	I	98.6	Very high	98.4	Very high	11 Å²	11	59 Å²	59	6%	0.056	30%	0.303	C	S	.	.	S	Bend	trans	-103.5	121.6	174.7	-58.8	-60.7	0	0	0	108	F191 A194 V195 R199 V202 Y229 F234	F191-I232 HydrophobicContact CD1-CB 4.12Å; F191-I232 HydrophobicContact CD1-CG2 3.88Å; F191-I232 HydrophobicContact CE1-CB 4.23Å; F191-I232 HydrophobicContact CE1-CG2 3.85Å; A194-I232 HydrophobicContact CB-CD1 4.18Å; A194-I232 HydrophobicContact CB-CG2 4.43Å; V195-I232 HydrophobicContact CG2-CD1 4.16Å; V195-I232 HydrophobicContact CG2-CG1 4.07Å; R199-I232 WeakPolarHBondContact O-CD1 3.35Å; V202-I232 HydrophobicContact CB-CG2 4.21Å; V202-I232 HydrophobicContact CG2-CG2 3.67Å; Y229-I232 PolarHBondContact O-N 2.91Å; I232-F234 PolarHBondContact O-N 3.49Å
233	Q	98.6	Very high	98.4	Very high	120 Å²	120	60.5 Å²	60.5	56%	0.561	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	129.3	173.7	-177.7	-178	-1.8	0	0	109.3	R200 K201 V202	R200-Q233 PolarHBondContact O-N 3.41Å; K201-Q233 CarbonylContact C-O 3.39Å; K201-Q233 VanDerWaalsContact CA-O 3.28Å; K201-Q233 WeakPolarHBondContact CA-O 3.21Å; K201-Q233 HydrophobicContact CB-CB 4.17Å; K201-Q233 HydrophobicContact CD-CG 4.28Å; K201-Q233 HydrophobicContact CG-CB 4.19Å; K201-Q233 HydrophobicContact CG-CG 4.26Å; V202-Q233 PolarHBondContact N-O 2.8Å
234	F	98.8	Very high	98.4	Very high	55 Å²	55	61.5 Å²	61.5	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.1	174.6	175.9	-99.9	0	0	0	110.9	F191 V202 A204 C222 Q223 A226 I232	F191-F234 HydrophobicContact CE2-CD2 4.48Å; F191-F234 HydrophobicContact CZ-CB 4.43Å; F191-F234 AromaticContact CZ-CD2 3.67Å; F191-F234 HydrophobicContact CZ-CD2 3.67Å; F191-F234 HydrophobicContact CZ-CE2 4.36Å; F191-F234 HydrophobicContact CZ-CG 4.36Å; V202-F234 WeakPolarHBondContact O-CA 3.23Å; A204-F234 HydrophobicContact CB-CE2 3.79Å; A204-F234 HydrophobicContact CB-CZ 3.95Å; C222-F234 HydrophobicContact CB-CE2 3.95Å; C222-F234 HydrophobicContact CB-CZ 4.07Å; Q223-F234 HydrophobicContact CB-CE1 4.35Å; Q223-F234 HydrophobicContact CG-CE1 3.51Å; Q223-F234 HydrophobicContact CG-CZ 3.84Å; A226-F234 HydrophobicContact CB-CB 3.71Å; A226-F234 HydrophobicContact CB-CD1 4.06Å; A226-F234 HydrophobicContact CB-CD2 3.95Å; A226-F234 HydrophobicContact CB-CG 3.61Å; I232-F234 PolarHBondContact O-N 3.49Å
235	N	98.6	Very high	98.3	Very high	48 Å²	48	60.8 Å²	60.8	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	173.1	163	70.2	-14.3	0	0	0	110.2	V202 T203 A204	V202-N235 PolarHBondContact O-N 2.99Å; V202-N235 VanDerWaalsContact O-N 3.16Å; T203-N235 WeakPolarHBondContact CA-O 3.28Å; T203-N235 VanDerWaalsContact CA-OD1 3.23Å; T203-N235 WeakPolarHBondContact CA-OD1 3.45Å; T203-N235 WeakPolarHBondContact CB-OD1 3.46Å; T203-N235 VanDerWaalsContact CG2-OD1 3.32Å; T203-N235 WeakPolarHBondContact CG2-OD1 3.15Å; T203-N235 PolarHBondContact OG1-OD1 3.21Å; A204-N235 PolarHBondContact N-O 3.16Å
236	S	98.6	Very high	98.3	Very high	50 Å²	50	59.7 Å²	59.7	35%	0.35	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.9	171.9	65.1	0	0	0	0	110.7	A204 L219	A204-S236 CarbonylContact O-C 3.55Å; A204-S236 VanDerWaalsContact O-CA 3.22Å; A204-S236 WeakPolarHBondContact O-CA 3.47Å; L219-S236 VanDerWaalsContact CD1-CB 3.4Å
237	M	98.6	Very high	98.2	Very high	17 Å²	17	62.5 Å²	62.5	8%	0.084	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.4	178.8	-166.5	172.7	-70.4	0	0	110.3	T203 A204 V205 H206 N241 C242 Q245 F253	T203-M237 HydrophobicContact CG2-CB 3.96Å; A204-M237 PolarHBondContact O-N 3.24Å; V205-M237 VanDerWaalsContact CA-O 3.32Å; V205-M237 WeakPolarHBondContact CA-O 3.25Å; H206-M237 PolarHBondContact CD2-O 2.82Å; H206-M237 PolarHBondContact N-O 3.39Å; H206-M237 VanDerWaalsContact N-O 3.12Å; M237-N241 HydrophobicContact CG-CB 4.25Å; M237-C242 HydrophobicContact CG-CB 4.12Å; M237-C242 WeakPolarHBondContact SD-CA 3.26Å; M237-C242 HydrophobicContact SD-CB 3.96Å; M237-Q245 HydrophobicContact CE-CG 4.09Å; M237-Q245 HydrophobicContact SD-CB 4.11Å; M237-Q245 HydrophobicContact SD-CG 3.89Å; M237-F253 HydrophobicContact CE-CE1 3.85Å; M237-F253 HydrophobicContact CE-CZ 3.93Å; M237-F253 HydrophobicContact SD-CE1 3.84Å; M237-F253 HydrophobicContact SD-CZ 3.66Å
238	I	98.5	Very high	98.2	Very high	52 Å²	52	59.2 Å²	59.2	27%	0.267	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.5	174.2	-51.9	175.3	0	0	0	108.5	H206 K207 N209 D240 N241 C242	H206-I238 CarbonylContact O-C 3.4Å; H206-I238 WeakPolarHBondContact O-CA 3.44Å; K207-I238 HydrophobicContact CD-CG2 3.72Å; N209-I238 HydrophobicContact CB-CD1 4.06Å; N209-I238 WeakPolarHBondContact OD1-CG2 3.44Å; I238-D240 VanDerWaalsContact C-N 3.28Å; I238-D240 WeakPolarHBondContact CB-OD1 2.97Å; I238-D240 WeakPolarHBondContact CG2-OD1 3.22Å; I238-D240 PolarHBondContact O-N 3.33Å; I238-N241 CarbonylContact O-C 3.57Å; I238-N241 PolarHBondContact O-N 3.36Å; I238-N241 VanDerWaalsContact O-N 3.12Å; I238-C242 WeakPolarHBondContact O-CB 3.42Å; I238-C242 PolarHBondContact O-N 3.12Å
239	I	98.4	Very high	98.1	Very high	16 Å²	16	56.7 Å²	56.7	8%	0.082	31%	0.308	C	S	.	.	H	α-helix	trans	-57.2	-33.2	-172	-179.7	58.4	0	0	0	114.2	V205 H206 K207 C242 C243 Y262 V266	V205-I239 HydrophobicContact CG1-CB 3.86Å; V205-I239 HydrophobicContact CG1-CD1 3.64Å; V205-I239 HydrophobicContact CG1-CG1 4.33Å; H206-I239 PolarHBondContact O-N 2.79Å; K207-I239 HydrophobicContact CB-CG2 3.98Å; K207-I239 HydrophobicContact CD-CG2 3.46Å; K207-I239 VanDerWaalsContact CD-CG2 3.46Å; K207-I239 HydrophobicContact CG-CG2 4.26Å; I239-C242 HydrophobicContact CD1-CB 4.42Å; I239-C242 WeakPolarHBondContact O-CB 3.32Å; I239-C242 PolarHBondContact O-N 3.3Å; I239-C243 PolarHBondContact O-N 3.46Å; I239-C243 PolarHBondContact O-SG 3.39Å; I239-Y262 HydrophobicContact CB-CD1 4.44Å; I239-Y262 HydrophobicContact CB-CD2 4.4Å; I239-Y262 HydrophobicContact CB-CG 4.29Å; I239-Y262 HydrophobicContact CD1-CG 4.22Å; I239-Y262 HydrophobicContact CG1-CD1 3.92Å; I239-Y262 HydrophobicContact CG1-CG 3.94Å; I239-Y262 HydrophobicContact CG2-CD1 4.39Å; I239-Y262 HydrophobicContact CG2-CE1 4.24Å; I239-Y262 HydrophobicContact CG2-CE2 4.49Å; I239-V266 HydrophobicContact CD1-CG2 3.48Å; I239-V266 VanDerWaalsContact CD1-CG2 3.48Å
240	D	98.1	Very high	98.1	Very high	81 Å²	81	55.6 Å²	55.6	43%	0.433	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-50.5	174.4	51.5	-4.6	0	0	0	112	K207 I238 C242 C243 M244	K207-D240 IonicContact NZ-OD1 3.42Å; K207-D240 IonicContact NZ-OD2 2.77Å; K207-D240 PolarHBondContact NZ-OD2 3.4Å; I238-D240 VanDerWaalsContact C-N 3.28Å; I238-D240 WeakPolarHBondContact CB-OD1 2.97Å; I238-D240 WeakPolarHBondContact CG2-OD1 3.22Å; I238-D240 PolarHBondContact O-N 3.33Å; D240-C242 VanDerWaalsContact C-N 3.26Å; D240-C242 PolarHBondContact O-N 2.97Å; D240-C243 PolarHBondContact O-N 3.33Å; D240-M244 PolarHBondContact O-N 3.42Å; D240-M244 VanDerWaalsContact O-N 3.08Å
241	N	98.4	Very high	98.1	Very high	60 Å²	60	54.6 Å²	54.6	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-36.5	173.7	-173	32.2	0	0	0	110.6	M237 I238 C243 M244 Q245	M237-N241 HydrophobicContact CG-CB 4.25Å; I238-N241 CarbonylContact O-C 3.57Å; I238-N241 PolarHBondContact O-N 3.36Å; I238-N241 VanDerWaalsContact O-N 3.12Å; N241-C243 PolarHBondContact O-N 3.37Å; N241-M244 PolarHBondContact O-N 3.21Å; N241-M244 VanDerWaalsContact OD1-CE 3.25Å; N241-M244 WeakPolarHBondContact OD1-CE 3.26Å; N241-Q245 WeakPolarHBondContact O-CB 3.06Å; N241-Q245 VanDerWaalsContact O-CG 3.24Å; N241-Q245 WeakPolarHBondContact O-CG 3.5Å; N241-Q245 PolarHBondContact O-N 3.29Å; N241-Q245 PolarHBondContact OD1-NE2 3.16Å
242	C	98.7	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-49.2	174.4	-175.3	0	0	0	0	111.9	V205 M237 I238 I239 D240 M244 Q245 L246 M256	V205-C242 HydrophobicContact CG1-CB 3.8Å; V205-C242 HydrophobicContact CG2-CB 4.43Å; M237-C242 HydrophobicContact CG-CB 4.12Å; M237-C242 WeakPolarHBondContact SD-CA 3.26Å; M237-C242 HydrophobicContact SD-CB 3.96Å; I238-C242 WeakPolarHBondContact O-CB 3.42Å; I238-C242 PolarHBondContact O-N 3.12Å; I239-C242 HydrophobicContact CD1-CB 4.42Å; I239-C242 WeakPolarHBondContact O-CB 3.32Å; I239-C242 PolarHBondContact O-N 3.3Å; D240-C242 VanDerWaalsContact C-N 3.26Å; D240-C242 PolarHBondContact O-N 2.97Å; C242-M244 VanDerWaalsContact C-N 3.33Å; C242-M244 PolarHBondContact O-N 3.47Å; C242-Q245 PolarHBondContact O-N 3.28Å; C242-L246 WeakPolarHBondContact O-CB 3.38Å; C242-L246 VanDerWaalsContact O-CG 3.28Å; C242-L246 WeakPolarHBondContact O-CG 3.45Å; C242-L246 PolarHBondContact O-N 3.04Å; C242-M256 WeakPolarHBondContact SG-CE 3.45Å
243	C	98.5	Very high	98.1	Very high	32 Å²	32	51 Å²	51	22%	0.216	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-43.6	176.2	-69	0	0	0	0	111.7	I239 D240 N241 L246 V247 L269	I239-C243 PolarHBondContact O-N 3.46Å; I239-C243 PolarHBondContact O-SG 3.39Å; D240-C243 PolarHBondContact O-N 3.33Å; N241-C243 PolarHBondContact O-N 3.37Å; C243-L246 PolarHBondContact O-N 3.3Å; C243-V247 PolarHBondContact O-N 3.04Å; C243-L269 HydrophobicContact CB-CD1 3.79Å
244	M	98.1	Very high	98.1	Very high	105 Å²	105	46.3 Å²	46.3	52%	0.517	25%	0.25	S	S	.	.	H	α-helix	trans	-61.5	-45.3	176.6	-172.3	177.7	69.4	0	0	112	D240 N241 C242 V247 S248	D240-M244 PolarHBondContact O-N 3.42Å; D240-M244 VanDerWaalsContact O-N 3.08Å; N241-M244 PolarHBondContact O-N 3.21Å; N241-M244 VanDerWaalsContact OD1-CE 3.25Å; N241-M244 WeakPolarHBondContact OD1-CE 3.26Å; C242-M244 VanDerWaalsContact C-N 3.33Å; C242-M244 PolarHBondContact O-N 3.47Å; M244-V247 WeakPolarHBondContact O-CG2 3.38Å; M244-V247 PolarHBondContact O-N 3.28Å; M244-S248 WeakPolarHBondContact O-CB 3.44Å; M244-S248 PolarHBondContact O-N 3.08Å; M244-S248 VanDerWaalsContact O-N 3.16Å; M244-S248 PolarHBondContact O-OG 2.98Å
245	Q	98.3	Very high	98.1	Very high	46 Å²	46	43.7 Å²	43.7	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-35.9	178.7	-70.3	-55	-42.6	0	0	112.3	M237 N241 C242 V247 S248 N249 F253	M237-Q245 HydrophobicContact CE-CG 4.09Å; M237-Q245 HydrophobicContact SD-CB 4.11Å; M237-Q245 HydrophobicContact SD-CG 3.89Å; N241-Q245 WeakPolarHBondContact O-CB 3.06Å; N241-Q245 VanDerWaalsContact O-CG 3.24Å; N241-Q245 WeakPolarHBondContact O-CG 3.5Å; N241-Q245 PolarHBondContact O-N 3.29Å; N241-Q245 PolarHBondContact OD1-NE2 3.16Å; C242-Q245 PolarHBondContact O-N 3.28Å; Q245-V247 VanDerWaalsContact C-N 3.33Å; Q245-V247 PolarHBondContact O-N 2.83Å; Q245-S248 PolarHBondContact O-N 3.43Å; Q245-N249 CarbonylContact O-C 3.59Å; Q245-N249 WeakPolarHBondContact O-CA 3.26Å; Q245-N249 PolarHBondContact O-N 2.94Å; Q245-F253 HydrophobicContact CB-CE2 3.84Å; Q245-F253 HydrophobicContact CB-CZ 3.69Å
246	L	97.9	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-36.7	177.3	-79.3	165.9	0	0	0	112.4	L149 C242 C243 P250 F253 M256 V266 L269 L273	L149-L246 HydrophobicContact CD2-CD2 4.24Å; C242-L246 WeakPolarHBondContact O-CB 3.38Å; C242-L246 VanDerWaalsContact O-CG 3.28Å; C242-L246 WeakPolarHBondContact O-CG 3.45Å; C242-L246 PolarHBondContact O-N 3.04Å; C243-L246 PolarHBondContact O-N 3.3Å; L246-P250 VanDerWaalsContact O-CB 3.23Å; L246-P250 WeakPolarHBondContact O-CB 3.39Å; L246-P250 VanDerWaalsContact O-CD 3.29Å; L246-P250 WeakPolarHBondContact O-CD 3.2Å; L246-P250 VanDerWaalsContact O-CG 3.26Å; L246-P250 WeakPolarHBondContact O-CG 3.18Å; L246-F253 HydrophobicContact CB-CE2 4.46Å; L246-F253 HydrophobicContact CD2-CD2 3.53Å; L246-F253 HydrophobicContact CD2-CE2 3.68Å; L246-F253 HydrophobicContact CD2-CG 4.33Å; L246-F253 HydrophobicContact CG-CD2 4.12Å; L246-F253 HydrophobicContact CG-CE2 3.72Å; L246-F253 HydrophobicContact CG-CZ 4.33Å; L246-M256 HydrophobicContact CD1-CE 4.21Å; L246-M256 HydrophobicContact CD2-CE 4.34Å; L246-M256 HydrophobicContact CD2-SD 4.23Å; L246-M256 HydrophobicContact CG-CE 4.48Å; L246-V266 HydrophobicContact CD1-CG1 3.61Å; L246-V266 HydrophobicContact CD1-CG2 4.34Å; L246-L269 HydrophobicContact CB-CD2 3.59Å; L246-L269 HydrophobicContact CD1-CD2 4.1Å; L246-L269 HydrophobicContact CG-CD2 4.44Å; L246-L273 HydrophobicContact CB-CD1 4.38Å; L246-L273 WeakPolarHBondContact O-CD1 3.38Å
247	V	96.9	Very high	98.1	Very high	73 Å²	73	39 Å²	39	44%	0.442	21%	0.21	S	C	.	.	H	α-helix	trans	-83.3	-20.2	178.7	-59.5	0	0	0	0	113.5	H144 C243 M244 Q245 L269 L273	H144-V247 PolarHBondContact CE1-O 3.02Å; H144-V247 PolarHBondContact NE2-O 3.22Å; H144-V247 VanDerWaalsContact NE2-O 3.08Å; C243-V247 PolarHBondContact O-N 3.04Å; M244-V247 WeakPolarHBondContact O-CG2 3.38Å; M244-V247 PolarHBondContact O-N 3.28Å; Q245-V247 VanDerWaalsContact C-N 3.33Å; Q245-V247 PolarHBondContact O-N 2.83Å; V247-L269 HydrophobicContact CG1-CD1 4.29Å; V247-L269 HydrophobicContact CG1-CD2 3.93Å; V247-L269 HydrophobicContact CG1-CG 4.29Å; V247-L273 HydrophobicContact CG1-CD2 4.49Å
248	S	97	Very high	98.1	Very high	82 Å²	82	38.2 Å²	38.2	57%	0.573	21%	0.206	S	C	*	.	H	α-helix	trans	-103.8	-39.3	-176.4	-62.2	0	0	0	0	114	M244 Q245	M244-S248 WeakPolarHBondContact O-CB 3.44Å; M244-S248 PolarHBondContact O-N 3.08Å; M244-S248 VanDerWaalsContact O-N 3.16Å; M244-S248 PolarHBondContact O-OG 2.98Å; Q245-S248 PolarHBondContact O-N 3.43Å
249	N	97.1	Very high	98.1	Very high	74 Å²	74	35.8 Å²	35.8	40%	0.396	19%	0.194	S	C	.	.			trans	-149	61.3	-176.1	-176.9	36.2	0	0	0	111.3	Q245 E251 Q252	Q245-N249 CarbonylContact O-C 3.59Å; Q245-N249 WeakPolarHBondContact O-CA 3.26Å; Q245-N249 PolarHBondContact O-N 2.94Å; N249-E251 VanDerWaalsContact C-N 3.26Å; N249-E251 PolarHBondContact O-N 2.78Å; N249-E251 PolarHBondContact OD1-OE2 2.9Å; N249-Q252 PolarHBondContact ND2-NE2 3.12Å; N249-Q252 VanDerWaalsContact O-CG 3.25Å; N249-Q252 WeakPolarHBondContact O-CG 3.44Å; N249-Q252 PolarHBondContact O-N 2.83Å; N249-Q252 PolarHBondContact O-NE2 2.87Å
250	P	97.7	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-65.1	-22.6	-176.6	21	-28.6	0	0	0	114.7	H144 L147 L149 L246 Q252 F253 L273	H144-P250 HydrophobicContact CB-CG 4.08Å; H144-P250 WeakPolarHBondContact CE1-CD 3.3Å; H144-P250 VanDerWaalsContact CG-CG 3.46Å; H144-P250 WeakPolarHBondContact ND1-CD 3.29Å; H144-P250 WeakPolarHBondContact ND1-CG 3.49Å; L147-P250 HydrophobicContact CD1-CB 3.98Å; L147-P250 HydrophobicContact CD1-CG 3.78Å; L147-P250 HydrophobicContact CD2-CB 3.9Å; L147-P250 HydrophobicContact CD2-CG 3.67Å; L147-P250 HydrophobicContact CG-CG 4.37Å; L149-P250 HydrophobicContact CD2-CB 4.4Å; L246-P250 VanDerWaalsContact O-CB 3.23Å; L246-P250 WeakPolarHBondContact O-CB 3.39Å; L246-P250 VanDerWaalsContact O-CD 3.29Å; L246-P250 WeakPolarHBondContact O-CD 3.2Å; L246-P250 VanDerWaalsContact O-CG 3.26Å; L246-P250 WeakPolarHBondContact O-CG 3.18Å; P250-Q252 PolarHBondContact O-N 3.44Å; P250-F253 WeakPolarHBondContact O-CD2 3.16Å; P250-F253 PolarHBondContact O-N 3.37Å; P250-L273 HydrophobicContact CB-CD1 4.04Å; P250-L273 HydrophobicContact CG-CD1 4.3Å
251	E	97	Very high	97.9	Very high	96 Å²	96	33.4 Å²	33.4	45%	0.449	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.3	-17.9	-179.9	-60.7	75.9	-170.6	0	0	112.5	H144 L147 N249 F253	H144-E251 IonicContact ND1-OE1 3.6Å; L147-E251 HydrophobicContact CD2-CB 4.5Å; L147-E251 HydrophobicContact CD2-CG 3.72Å; N249-E251 VanDerWaalsContact C-N 3.26Å; N249-E251 PolarHBondContact O-N 2.78Å; N249-E251 PolarHBondContact OD1-OE2 2.9Å; E251-F253 VanDerWaalsContact C-N 3.28Å; E251-F253 PolarHBondContact O-N 3.15Å
252	Q	97.4	Very high	97.9	Very high	52 Å²	52	31.3 Å²	31.3	24%	0.243	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-71.6	-20.3	175.5	80.7	-172.3	-83.5	0	0	113	K201 N249 P250	K201-Q252 WeakPolarHBondContact CE-O 3.31Å; K201-Q252 PolarHBondContact NZ-O 2.92Å; N249-Q252 PolarHBondContact ND2-NE2 3.12Å; N249-Q252 VanDerWaalsContact O-CG 3.25Å; N249-Q252 WeakPolarHBondContact O-CG 3.44Å; N249-Q252 PolarHBondContact O-N 2.83Å; N249-Q252 PolarHBondContact O-NE2 2.87Å; P250-Q252 PolarHBondContact O-N 3.44Å
253	F	98.5	Very high	97.8	Very high	10 Å²	10	31.3 Å²	31.3	4%	0.044	17%	0.169	C	C	.	.			trans	-87.3	151.6	-176.6	-63.3	-74.1	0	0	0	111.8	L149 T203 M237 Q245 L246 P250 E251 M256	L149-F253 HydrophobicContact CB-CB 4.21Å; L149-F253 HydrophobicContact CD2-CB 4.28Å; T203-F253 HydrophobicContact CG2-CE1 4.34Å; M237-F253 HydrophobicContact CE-CE1 3.85Å; M237-F253 HydrophobicContact CE-CZ 3.93Å; M237-F253 HydrophobicContact SD-CE1 3.84Å; M237-F253 HydrophobicContact SD-CZ 3.66Å; Q245-F253 HydrophobicContact CB-CE2 3.84Å; Q245-F253 HydrophobicContact CB-CZ 3.69Å; L246-F253 HydrophobicContact CB-CE2 4.46Å; L246-F253 HydrophobicContact CD2-CD2 3.53Å; L246-F253 HydrophobicContact CD2-CE2 3.68Å; L246-F253 HydrophobicContact CD2-CG 4.33Å; L246-F253 HydrophobicContact CG-CD2 4.12Å; L246-F253 HydrophobicContact CG-CE2 3.72Å; L246-F253 HydrophobicContact CG-CZ 4.33Å; P250-F253 WeakPolarHBondContact O-CD2 3.16Å; P250-F253 PolarHBondContact O-N 3.37Å; E251-F253 VanDerWaalsContact C-N 3.28Å; E251-F253 PolarHBondContact O-N 3.15Å; F253-M256 HydrophobicContact CB-CG 4.17Å; F253-M256 HydrophobicContact CB-SD 3.82Å; F253-M256 HydrophobicContact CD1-CE 3.77Å; F253-M256 HydrophobicContact CD1-CG 4.05Å; F253-M256 HydrophobicContact CD1-SD 3.81Å; F253-M256 HydrophobicContact CD2-SD 4.44Å; F253-M256 HydrophobicContact CE1-CE 3.88Å; F253-M256 HydrophobicContact CG-CE 4.17Å; F253-M256 HydrophobicContact CG-CG 4.36Å; F253-M256 HydrophobicContact CG-SD 3.77Å; F253-M256 HydrophobicContact CZ-CE 4.37Å
254	D	98.6	Very high	97.6	Very high	22 Å²	22	31.5 Å²	31.5	12%	0.118	17%	0.168	C	C	.	.	S	Bend	trans	-128	-95.4	176.4	-169.1	20.8	0	0	0	108.3	L149 V150 R199 R200 K201	L149-D254 CarbonylContact C-O 3.12Å; L149-D254 WeakPolarHBondContact CA-O 3.39Å; V150-D254 PolarHBondContact N-O 2.77Å; R199-D254 WeakPolarHBondContact CD-OD1 3.25Å; R199-D254 IonicContact CZ-OD1 2.72Å; R199-D254 IonicContact NE-OD1 2.85Å; R199-D254 IonicContact NH1-OD1 2.93Å; R199-D254 PolarHBondContact NH1-OD1 3.13Å; R200-D254 PolarHBondContact N-OD2 3.05Å; K201-D254 HydrophobicContact CB-CB 3.98Å; K201-D254 PolarHBondContact N-OD2 3.25Å; K201-D254 WeakPolarHBondContact O-CB 3.18Å
255	V	98.9	Very high	97.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133	166.6	-179.3	0	0	0	0	109.7	V150 I152 A190 Y193 A194 R199 K201 V202 T203	V150-V255 HydrophobicContact CB-CG2 4.49Å; V150-V255 CarbonylContact O-C 3.52Å; V150-V255 WeakPolarHBondContact O-CA 3.46Å; I152-V255 HydrophobicContact CD1-CG1 3.6Å; I152-V255 HydrophobicContact CG1-CG1 4.16Å; A190-V255 HydrophobicContact CB-CG1 4.5Å; Y193-V255 HydrophobicContact CD1-CG2 4.17Å; Y193-V255 HydrophobicContact CE1-CG2 4.38Å; A194-V255 HydrophobicContact CB-CG2 4.1Å; R199-V255 HydrophobicContact CB-CG2 3.76Å; R199-V255 HydrophobicContact CG-CG2 3.7Å; K201-V255 WeakPolarHBondContact O-CB 3.28Å; K201-V255 PolarHBondContact O-N 3.09Å; V202-V255 CarbonylContact C-O 3.51Å; V202-V255 VanDerWaalsContact CA-O 3.27Å; V202-V255 WeakPolarHBondContact CA-O 3.33Å; V202-V255 HydrophobicContact CG2-CB 4.05Å; V202-V255 HydrophobicContact CG2-CG1 4.22Å; T203-V255 PolarHBondContact N-O 3.43Å
256	M	98.9	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.9	176.8	-56.1	173	70.9	0	0	109	L149 V150 I151 I152 T203 V205 C242 L246 F253 M258 V266	L149-M256 HydrophobicContact CD1-SD 4.08Å; V150-M256 PolarHBondContact O-N 3.38Å; I151-M256 HydrophobicContact CG1-SD 4.39Å; I152-M256 WeakPolarHBondContact CA-O 3.45Å; I152-M256 WeakPolarHBondContact CB-O 3.45Å; I152-M256 PolarHBondContact N-O 2.94Å; T203-M256 CarbonylContact O-C 3.57Å; T203-M256 WeakPolarHBondContact O-CA 3.4Å; V205-M256 HydrophobicContact CG2-CE 3.86Å; C242-M256 WeakPolarHBondContact SG-CE 3.45Å; L246-M256 HydrophobicContact CD1-CE 4.21Å; L246-M256 HydrophobicContact CD2-CE 4.34Å; L246-M256 HydrophobicContact CD2-SD 4.23Å; L246-M256 HydrophobicContact CG-CE 4.48Å; F253-M256 HydrophobicContact CB-CG 4.17Å; F253-M256 HydrophobicContact CB-SD 3.82Å; F253-M256 HydrophobicContact CD1-CE 3.77Å; F253-M256 HydrophobicContact CD1-CG 4.05Å; F253-M256 HydrophobicContact CD1-SD 3.81Å; F253-M256 HydrophobicContact CD2-SD 4.44Å; F253-M256 HydrophobicContact CE1-CE 3.88Å; F253-M256 HydrophobicContact CG-CE 4.17Å; F253-M256 HydrophobicContact CG-CG 4.36Å; F253-M256 HydrophobicContact CG-SD 3.77Å; F253-M256 HydrophobicContact CZ-CE 4.37Å; M256-M258 HydrophobicContact CB-CE 3.63Å; M256-M258 HydrophobicContact CE-CE 4.09Å; M256-V266 HydrophobicContact CE-CG1 4.21Å
257	V	98.9	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133	177.9	66.3	0	0	0	0	110.6	I152 I186 A190 V202 T203 A204 V205 F218	I152-V257 HydrophobicContact CG2-CG2 4.41Å; I152-V257 VanDerWaalsContact O-CA 3.28Å; I152-V257 WeakPolarHBondContact O-CA 3.29Å; I186-V257 HydrophobicContact CG1-CG2 4.08Å; A190-V257 HydrophobicContact CB-CB 3.74Å; A190-V257 HydrophobicContact CB-CG1 4.38Å; A190-V257 HydrophobicContact CB-CG2 3.72Å; V202-V257 HydrophobicContact CG1-CG1 3.87Å; T203-V257 PolarHBondContact O-N 3.43Å; A204-V257 CarbonylContact C-O 3.58Å; A204-V257 WeakPolarHBondContact CA-O 3.47Å; A204-V257 HydrophobicContact CB-CG1 4.14Å; V205-V257 PolarHBondContact N-O 2.75Å; F218-V257 HydrophobicContact CZ-CG2 4.26Å
258	M	98.7	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	158.9	-173.8	63.4	-164.1	77.9	0	0	115.3	I151 I152 E154 V205 M256 G263 V266	I151-M258 HydrophobicContact CG2-CE 3.88Å; I151-M258 HydrophobicContact CG2-SD 4.26Å; I152-M258 PolarHBondContact O-N 3.04Å; E154-M258 PolarHBondContact N-O 3.47Å; E154-M258 VanDerWaalsContact N-O 3.07Å; V205-M258 HydrophobicContact CB-CB 3.91Å; V205-M258 HydrophobicContact CB-CE 4.06Å; V205-M258 HydrophobicContact CB-SD 4.36Å; V205-M258 HydrophobicContact CG2-CE 3.78Å; M256-M258 HydrophobicContact CB-CE 3.63Å; M256-M258 HydrophobicContact CE-CE 4.09Å; M258-G263 VanDerWaalsContact CG-CA 3.5Å; M258-G263 WeakPolarHBondContact SD-CA 3.26Å; M258-G263 PolarHBondContact SD-N 2.93Å; M258-G263 VanDerWaalsContact SD-N 3.44Å; M258-V266 HydrophobicContact CE-CB 4.29Å; M258-V266 HydrophobicContact CE-CG1 4.04Å; M258-V266 HydrophobicContact CE-CG2 4.43Å; M258-V266 HydrophobicContact SD-CB 3.78Å; M258-V266 HydrophobicContact SD-CG1 4.2Å; M258-V266 HydrophobicContact SD-CG2 3.81Å
259	P	98.3	Very high	97.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.013	13%	0.128	C	C	.	.			trans	-60.5	164.3	170.3	-22.5	33.8	0	0	0	113.4	I178 V205 F218 L261 Y262 G263	I178-P259 HydrophobicContact CD1-CB 4.42Å; V205-P259 VanDerWaalsContact O-CD 3.29Å; V205-P259 WeakPolarHBondContact O-CD 3.3Å; F218-P259 HydrophobicContact CB-CG 4.5Å; F218-P259 HydrophobicContact CD1-CG 3.96Å; F218-P259 HydrophobicContact CD2-CG 3.98Å; F218-P259 HydrophobicContact CE1-CG 4.17Å; F218-P259 HydrophobicContact CE2-CG 4.17Å; F218-P259 HydrophobicContact CG-CG 3.87Å; F218-P259 HydrophobicContact CZ-CG 4.27Å; P259-L261 PolarHBondContact O-N 2.61Å; P259-Y262 HydrophobicContact CB-CD2 4.37Å; P259-Y262 HydrophobicContact CG-CD2 4.17Å; P259-Y262 HydrophobicContact CG-CE2 4.34Å; P259-Y262 PolarHBondContact O-N 3.47Å; P259-G263 PolarHBondContact O-N 3.33Å
260	N	96.3	Very high	97.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-56.2	-51.2	-167.1	-158.4	-18.3	0	0	0	114.9	R153 E154 Q155 E157 Y160 Y262 G263 N264	R153-N260 VanDerWaalsContact CZ-OD1 3.24Å; R153-N260 PolarHBondContact NE-O 2.81Å; R153-N260 PolarHBondContact NE-OD1 3.42Å; R153-N260 PolarHBondContact NH2-O 2.93Å; R153-N260 PolarHBondContact NH2-OD1 2.9Å; E154-N260 WeakPolarHBondContact O-CA 3.42Å; E154-N260 WeakPolarHBondContact O-CB 3.39Å; E154-N260 PolarHBondContact O-OD1 3.37Å; Q155-N260 PolarHBondContact O-ND2 2.86Å; E157-N260 WeakPolarHBondContact O-CB 3.31Å; E157-N260 PolarHBondContact O-ND2 3.46Å; Y160-N260 WeakPolarHBondContact CD2-OD1 3.44Å; N260-Y262 PolarHBondContact O-N 3.18Å; N260-G263 PolarHBondContact O-N 2.82Å; N260-N264 PolarHBondContact O-N 2.93Å
261	L	96.3	Very high	97.5	Very high	47 Å²	47	21.9 Å²	21.9	25%	0.246	11%	0.11	C	C	.	.	H	α-helix	trans	-62.7	-45.8	-179	176.4	61.9	0	0	0	112.1	E159 Y160 P259 N264 I265	E159-L261 HydrophobicContact CB-CB 4.2Å; E159-L261 HydrophobicContact CB-CD2 4.19Å; E159-L261 HydrophobicContact CG-CB 4.2Å; E159-L261 HydrophobicContact CG-CD2 3.77Å; E159-L261 VanDerWaalsContact OE2-CB 3.24Å; E159-L261 WeakPolarHBondContact OE2-CB 3.45Å; Y160-L261 HydrophobicContact CE1-CB 4.5Å; Y160-L261 HydrophobicContact CE1-CD1 3.68Å; P259-L261 PolarHBondContact O-N 2.61Å; L261-N264 WeakPolarHBondContact O-CB 3.45Å; L261-N264 PolarHBondContact O-N 2.85Å; L261-I265 HydrophobicContact CD1-CD1 4.24Å; L261-I265 HydrophobicContact CG-CD1 4.18Å; L261-I265 WeakPolarHBondContact O-CG1 3.45Å; L261-I265 PolarHBondContact O-N 3.37Å
262	Y	97.8	Very high	97.4	Very high	16 Å²	16	20 Å²	20	6%	0.063	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-39.9	-178.1	-56.1	-25	0	0	0	111.9	K207 M211 D215 I239 P259 N260 N264 I265 V266	K207-Y262 HydrophobicContact CB-CE2 4.28Å; K207-Y262 VanDerWaalsContact CB-OH 3.3Å; K207-Y262 WeakPolarHBondContact CB-OH 3.21Å; M211-Y262 WeakPolarHBondContact CE-OH 3.31Å; D215-Y262 VanDerWaalsContact OD2-CE2 3.24Å; D215-Y262 WeakPolarHBondContact OD2-CE2 3.49Å; D215-Y262 PolarHBondContact OD2-OH 2.66Å; I239-Y262 HydrophobicContact CB-CD1 4.44Å; I239-Y262 HydrophobicContact CB-CD2 4.4Å; I239-Y262 HydrophobicContact CB-CG 4.29Å; I239-Y262 HydrophobicContact CD1-CG 4.22Å; I239-Y262 HydrophobicContact CG1-CD1 3.92Å; I239-Y262 HydrophobicContact CG1-CG 3.94Å; I239-Y262 HydrophobicContact CG2-CD1 4.39Å; I239-Y262 HydrophobicContact CG2-CE1 4.24Å; I239-Y262 HydrophobicContact CG2-CE2 4.49Å; P259-Y262 HydrophobicContact CB-CD2 4.37Å; P259-Y262 HydrophobicContact CG-CD2 4.17Å; P259-Y262 HydrophobicContact CG-CE2 4.34Å; P259-Y262 PolarHBondContact O-N 3.47Å; N260-Y262 PolarHBondContact O-N 3.18Å; Y262-N264 VanDerWaalsContact C-N 3.28Å; Y262-N264 PolarHBondContact O-N 2.88Å; Y262-I265 PolarHBondContact O-N 2.93Å; Y262-I265 VanDerWaalsContact O-N 3.13Å; Y262-V266 WeakPolarHBondContact O-CB 3.36Å; Y262-V266 WeakPolarHBondContact O-CG2 3.49Å; Y262-V266 PolarHBondContact O-N 3.21Å
263	G	97.2	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-53.9	-48.5	172.9	0	0	0	0	0	111	M258 P259 N260 I265 V266 D267	M258-G263 VanDerWaalsContact CG-CA 3.5Å; M258-G263 WeakPolarHBondContact SD-CA 3.26Å; M258-G263 PolarHBondContact SD-N 2.93Å; M258-G263 VanDerWaalsContact SD-N 3.44Å; P259-G263 PolarHBondContact O-N 3.33Å; N260-G263 PolarHBondContact O-N 2.82Å; G263-I265 VanDerWaalsContact C-N 3.31Å; G263-I265 PolarHBondContact O-N 2.86Å; G263-V266 PolarHBondContact O-N 3.48Å; G263-D267 VanDerWaalsContact O-CB 3.26Å; G263-D267 WeakPolarHBondContact O-CB 3.31Å; G263-D267 PolarHBondContact O-N 3.21Å
264	N	94.6	Very high	97.3	Very high	36 Å²	36	18.1 Å²	18.1	19%	0.193	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-40.4	178.7	-157.7	64.8	0	0	0	113.5	R153 Y160 N260 L261 Y262 N268	R153-N264 VanDerWaalsContact NH1-CA 3.31Å; R153-N264 VanDerWaalsContact NH1-CB 3.3Å; R153-N264 PolarHBondContact NH1-OD1 3.36Å; Y160-N264 HydrophobicContact CE2-CB 4.2Å; Y160-N264 WeakPolarHBondContact OH-CB 3.35Å; Y160-N264 PolarHBondContact OH-ND2 2.86Å; Y160-N264 VanDerWaalsContact OH-ND2 3.13Å; N260-N264 PolarHBondContact O-N 2.93Å; L261-N264 WeakPolarHBondContact O-CB 3.45Å; L261-N264 PolarHBondContact O-N 2.85Å; Y262-N264 VanDerWaalsContact C-N 3.28Å; Y262-N264 PolarHBondContact O-N 2.88Å; N264-N268 PolarHBondContact O-N 3.02Å; N264-N268 PolarHBondContact O-ND2 2.88Å
265	I	96.9	Very high	97.1	Very high	78 Å²	78	18.1 Å²	18.1	40%	0.4	11%	0.113	S	C	.	.	H	α-helix	trans	-69	-49	179.8	-66	167.9	0	0	0	109.9	L261 Y262 G263 N268 L269	L261-I265 HydrophobicContact CD1-CD1 4.24Å; L261-I265 HydrophobicContact CG-CD1 4.18Å; L261-I265 WeakPolarHBondContact O-CG1 3.45Å; L261-I265 PolarHBondContact O-N 3.37Å; Y262-I265 PolarHBondContact O-N 2.93Å; Y262-I265 VanDerWaalsContact O-N 3.13Å; G263-I265 VanDerWaalsContact C-N 3.31Å; G263-I265 PolarHBondContact O-N 2.86Å; I265-N268 PolarHBondContact O-N 2.88Å; I265-L269 PolarHBondContact O-N 3.31Å
266	V	98.1	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.8	-38.3	-177.7	173.6	0	0	0	0	111.5	I151 I239 L246 M256 M258 Y262 G263 N268 L269 A270	I151-V266 HydrophobicContact CD1-CG1 3.71Å; I151-V266 HydrophobicContact CG1-CG1 4.06Å; I239-V266 HydrophobicContact CD1-CG2 3.48Å; I239-V266 VanDerWaalsContact CD1-CG2 3.48Å; L246-V266 HydrophobicContact CD1-CG1 3.61Å; L246-V266 HydrophobicContact CD1-CG2 4.34Å; M256-V266 HydrophobicContact CE-CG1 4.21Å; M258-V266 HydrophobicContact CE-CB 4.29Å; M258-V266 HydrophobicContact CE-CG1 4.04Å; M258-V266 HydrophobicContact CE-CG2 4.43Å; M258-V266 HydrophobicContact SD-CB 3.78Å; M258-V266 HydrophobicContact SD-CG1 4.2Å; M258-V266 HydrophobicContact SD-CG2 3.81Å; Y262-V266 WeakPolarHBondContact O-CB 3.36Å; Y262-V266 WeakPolarHBondContact O-CG2 3.49Å; Y262-V266 PolarHBondContact O-N 3.21Å; G263-V266 PolarHBondContact O-N 3.48Å; V266-N268 VanDerWaalsContact C-N 3.32Å; V266-N268 PolarHBondContact O-N 2.91Å; V266-L269 PolarHBondContact O-N 3.01Å; V266-A270 WeakPolarHBondContact O-CB 3.35Å; V266-A270 PolarHBondContact O-N 3.23Å
267	D	96.8	Very high	96.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-54.3	-48	173.3	-71.7	-29.1	0	0	0	111	V132 I151 R153 G263 A271	V132-D267 WeakPolarHBondContact CG2-OD1 3.25Å; I151-D267 WeakPolarHBondContact CB-OD1 3.11Å; I151-D267 WeakPolarHBondContact CG2-OD1 3.13Å; R153-D267 IonicContact NH1-OD2 3.84Å; G263-D267 VanDerWaalsContact O-CB 3.26Å; G263-D267 WeakPolarHBondContact O-CB 3.31Å; G263-D267 PolarHBondContact O-N 3.21Å; D267-A271 VanDerWaalsContact O-CB 3.32Å; D267-A271 WeakPolarHBondContact O-CB 3.4Å; D267-A271 PolarHBondContact O-N 3.33Å
268	N	96.3	Very high	96.5	Very high	54 Å²	54	21.6 Å²	21.6	29%	0.289	15%	0.146	S	C	.	.	H	α-helix	trans	-72	-41.5	-178.7	-78.9	-83	0	0	0	112.5	N264 I265 V266 A271 G272 H298	N264-N268 PolarHBondContact O-N 3.02Å; N264-N268 PolarHBondContact O-ND2 2.88Å; I265-N268 PolarHBondContact O-N 2.88Å; V266-N268 VanDerWaalsContact C-N 3.32Å; V266-N268 PolarHBondContact O-N 2.91Å; N268-A271 PolarHBondContact O-N 3.09Å; N268-G272 PolarHBondContact O-N 2.82Å; N268-H298 PolarHBondContact OD1-NE2 3.03Å
269	L	97.3	Very high	96.4	Very high	43 Å²	43	21.9 Å²	21.9	23%	0.225	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-51.6	175.5	-175.3	165.4	0	0	0	109.9	C243 L246 V247 I265 V266 A271 G272 L273	C243-L269 HydrophobicContact CB-CD1 3.79Å; L246-L269 HydrophobicContact CB-CD2 3.59Å; L246-L269 HydrophobicContact CD1-CD2 4.1Å; L246-L269 HydrophobicContact CG-CD2 4.44Å; V247-L269 HydrophobicContact CG1-CD1 4.29Å; V247-L269 HydrophobicContact CG1-CD2 3.93Å; V247-L269 HydrophobicContact CG1-CG 4.29Å; I265-L269 PolarHBondContact O-N 3.31Å; V266-L269 PolarHBondContact O-N 3.01Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.28Å; L269-G272 WeakPolarHBondContact O-CA 3.36Å; L269-G272 PolarHBondContact O-N 3Å; L269-L273 HydrophobicContact CD2-CD1 4.07Å; L269-L273 HydrophobicContact CD2-CD2 4.37Å; L269-L273 HydrophobicContact CD2-CG 4.23Å; L269-L273 PolarHBondContact O-N 3.01Å
270	A	97.6	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.9	-33.5	-176.5	0	0	0	0	0	112.4	I134 I151 V266 G272 L273	I134-A270 HydrophobicContact CB-CB 4.43Å; I134-A270 HydrophobicContact CD1-CB 3.78Å; I134-A270 HydrophobicContact CG1-CB 3.69Å; I134-A270 HydrophobicContact CG2-CB 4.02Å; I151-A270 HydrophobicContact CD1-CB 3.67Å; V266-A270 WeakPolarHBondContact O-CB 3.35Å; V266-A270 PolarHBondContact O-N 3.23Å; A270-G272 VanDerWaalsContact C-N 3.29Å; A270-G272 PolarHBondContact O-N 3.24Å; A270-L273 WeakPolarHBondContact O-CB 3.15Å; A270-L273 PolarHBondContact O-N 2.88Å; A270-L273 VanDerWaalsContact O-N 3.09Å
271	A	96.8	Very high	96.4	Very high	2 Å²	2	22 Å²	22	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-39.6	170.8	0	0	0	0	0	112.1	D267 N268 L269 L273 V274 G276 V280 T296	D267-A271 VanDerWaalsContact O-CB 3.32Å; D267-A271 WeakPolarHBondContact O-CB 3.4Å; D267-A271 PolarHBondContact O-N 3.33Å; N268-A271 PolarHBondContact O-N 3.09Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.28Å; A271-L273 PolarHBondContact O-N 3.29Å; A271-V274 WeakPolarHBondContact O-CG2 3.32Å; A271-V274 PolarHBondContact O-N 3.07Å; A271-G276 VanDerWaalsContact O-CA 3.24Å; A271-G276 WeakPolarHBondContact O-CA 3.43Å; A271-G276 PolarHBondContact O-N 3.47Å; A271-V280 HydrophobicContact CB-CB 4.47Å; A271-V280 HydrophobicContact CB-CG2 3.74Å; A271-T296 HydrophobicContact CB-CG2 3.35Å
272	G	96	Very high	96.5	Very high	56 Å²	56	19.8 Å²	19.8	58%	0.577	14%	0.136	S	C	*	.	H	α-helix	trans	-58.8	-29.3	173.5	0	0	0	0	0	113.8	N268 L269 A270 V274	N268-G272 PolarHBondContact O-N 2.82Å; L269-G272 WeakPolarHBondContact O-CA 3.36Å; L269-G272 PolarHBondContact O-N 3Å; A270-G272 VanDerWaalsContact C-N 3.29Å; A270-G272 PolarHBondContact O-N 3.24Å; G272-V274 VanDerWaalsContact C-N 3.33Å; G272-V274 PolarHBondContact O-N 2.96Å
273	L	96.7	Very high	96.5	Very high	22 Å²	22	19 Å²	19	12%	0.115	13%	0.134	C	C	.	.	H	α-helix	trans	-72.6	-23.8	-179.9	-53.9	177	0	0	0	113.5	S142 L147 L246 V247 P250 L269 A270 A271	S142-L273 WeakPolarHBondContact CB-O 3.36Å; L147-L273 HydrophobicContact CD1-CB 4.02Å; L147-L273 HydrophobicContact CD1-CD1 4.41Å; L246-L273 HydrophobicContact CB-CD1 4.38Å; L246-L273 WeakPolarHBondContact O-CD1 3.38Å; V247-L273 HydrophobicContact CG1-CD2 4.49Å; P250-L273 HydrophobicContact CB-CD1 4.04Å; P250-L273 HydrophobicContact CG-CD1 4.3Å; L269-L273 HydrophobicContact CD2-CD1 4.07Å; L269-L273 HydrophobicContact CD2-CD2 4.37Å; L269-L273 HydrophobicContact CD2-CG 4.23Å; L269-L273 PolarHBondContact O-N 3.01Å; A270-L273 WeakPolarHBondContact O-CB 3.15Å; A270-L273 PolarHBondContact O-N 2.88Å; A270-L273 VanDerWaalsContact O-N 3.09Å; A271-L273 PolarHBondContact O-N 3.29Å
274	V	96.5	Very high	96.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	7.3	-169.1	-61.6	0	0	0	0	114.9	I134 T136 L147 A271 G272 V279 V280	I134-V274 HydrophobicContact CG2-CG1 3.55Å; I134-V274 HydrophobicContact CG2-CG2 4.18Å; T136-V274 HydrophobicContact CG2-CG1 4.14Å; L147-V274 HydrophobicContact CB-CG1 4.4Å; L147-V274 HydrophobicContact CD1-CG1 4.17Å; A271-V274 WeakPolarHBondContact O-CG2 3.32Å; A271-V274 PolarHBondContact O-N 3.07Å; G272-V274 VanDerWaalsContact C-N 3.33Å; G272-V274 PolarHBondContact O-N 2.96Å; V274-V279 HydrophobicContact CG2-CG2 4.41Å; V274-V280 HydrophobicContact CG2-CG2 3.74Å
275	G	93.8	Very high	96.7	Very high	21 Å²	21	19.5 Å²	19.5	22%	0.216	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	119	6.2	179.5	0	0	0	0	0	115
276	G	94.6	Very high	96.8	Very high	22 Å²	22	16.2 Å²	16.2	23%	0.227	12%	0.117	C	C	.	.			trans	95.3	-174.5	173.6	0	0	0	0	0	114.8	A271 G278 V279	A271-G276 VanDerWaalsContact O-CA 3.24Å; A271-G276 WeakPolarHBondContact O-CA 3.43Å; A271-G276 PolarHBondContact O-N 3.47Å; G276-G278 VanDerWaalsContact C-N 3.25Å; G276-G278 PolarHBondContact O-N 2.97Å; G276-V279 WeakPolarHBondContact O-CG2 3.29Å; G276-V279 PolarHBondContact O-N 2.83Å
277	A	94	Very high	96.7	Very high	35 Å²	35	20.7 Å²	20.7	29%	0.289	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-57.4	-34.3	-175.1	0	0	0	0	0	114.2	V279 T296	A277-V279 PolarHBondContact O-N 3.07Å; A277-V279 VanDerWaalsContact O-N 3.09Å; A277-T296 VanDerWaalsContact CA-OG1 3.26Å; A277-T296 WeakPolarHBondContact CA-OG1 3.3Å; A277-T296 HydrophobicContact CB-CG2 4.36Å; A277-T296 WeakPolarHBondContact CB-OG1 3.41Å; A277-T296 PolarHBondContact O-OG1 2.95Å
278	G	95.2	Very high	96.6	Very high	17 Å²	17	26.1 Å²	26.1	18%	0.175	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-66.9	-8.7	-173	0	0	0	0	0	115.3	G276 T312 A313	G276-G278 VanDerWaalsContact C-N 3.25Å; G276-G278 PolarHBondContact O-N 2.97Å; G278-T312 WeakPolarHBondContact O-CB 3.45Å; G278-A313 VanDerWaalsContact O-CB 3.28Å; G278-A313 WeakPolarHBondContact O-CB 3.27Å; G278-A313 PolarHBondContact O-N 3.42Å
279	V	96.5	Very high	96.7	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.036	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-124.5	-1.2	-172.2	-56.2	0	0	0	0	114.8	L137 I140 V274 G276 A277 P281 T312 L316 I352	L137-V279 HydrophobicContact CD1-CB 4.2Å; I140-V279 HydrophobicContact CD1-CB 4.32Å; I140-V279 HydrophobicContact CD1-CG1 3.61Å; V274-V279 HydrophobicContact CG2-CG2 4.41Å; G276-V279 WeakPolarHBondContact O-CG2 3.29Å; G276-V279 PolarHBondContact O-N 2.83Å; A277-V279 PolarHBondContact O-N 3.07Å; A277-V279 VanDerWaalsContact O-N 3.09Å; V279-P281 WeakPolarHBondContact O-CD 3.34Å; V279-T312 HydrophobicContact CB-CG2 4.09Å; V279-T312 HydrophobicContact CG1-CG2 3.98Å; V279-L316 WeakPolarHBondContact O-CD1 3.16Å; V279-I352 HydrophobicContact CG1-CG2 3.79Å
280	V	97.7	Very high	96.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	14%	0.143	C	C	.	.			trans	-101.4	114.2	-173.5	178.3	0	0	0	0	110.8	V132 I134 A271 V274 G295 A313	V132-V280 HydrophobicContact CG1-CG1 3.42Å; V132-V280 VanDerWaalsContact CG1-CG1 3.42Å; I134-V280 HydrophobicContact CD1-CG1 3.68Å; I134-V280 HydrophobicContact CD1-CG2 4.14Å; A271-V280 HydrophobicContact CB-CB 4.47Å; A271-V280 HydrophobicContact CB-CG2 3.74Å; V274-V280 HydrophobicContact CG2-CG2 3.74Å; V280-G295 PolarHBondContact O-N 2.76Å; V280-A313 WeakPolarHBondContact O-CB 3.42Å
281	P	98.1	Very high	96.8	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	149.3	173.7	35.1	-35.6	0	0	0	111.9	H133 V279 L316 A317	H133-P281 HydrophobicContact CB-CG 4.3Å; H133-P281 PolarHBondContact N-O 3.21Å; V279-P281 WeakPolarHBondContact O-CD 3.34Å; P281-L316 HydrophobicContact CB-CB 3.77Å; P281-L316 HydrophobicContact CG-CB 3.85Å; P281-L316 HydrophobicContact CG-CD1 4.34Å; P281-A317 HydrophobicContact CB-CB 4.11Å
282	G	97.9	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	170.2	175.1	0	0	0	0	0	112.6	V131 E293	V131-G282 CarbonylContact O-C 3.57Å; V131-G282 VanDerWaalsContact O-CA 3.24Å; V131-G282 WeakPolarHBondContact O-CA 3.49Å; G282-E293 CarbonylContact C-O 3.56Å; G282-E293 VanDerWaalsContact C-O 3.23Å; G282-E293 VanDerWaalsContact CA-O 3.25Å; G282-E293 WeakPolarHBondContact CA-O 3.5Å; G282-E293 PolarHBondContact N-O 2.91Å; G282-E293 PolarHBondContact O-N 2.72Å; G282-E293 VanDerWaalsContact O-N 3.15Å
283	V	98.3	Very high	97	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	144.3	172.4	56	0	0	0	0	108.8	N130 V131 Y285 A290 V291 F292	N130-V283 CarbonylContact C-O 3.6Å; N130-V283 WeakPolarHBondContact CA-O 3.49Å; N130-V283 PolarHBondContact ND2-O 3.12Å; V131-V283 HydrophobicContact CB-CG1 3.79Å; V131-V283 HydrophobicContact CG2-CG1 4.42Å; V131-V283 PolarHBondContact N-O 2.93Å; V131-V283 PolarHBondContact O-N 2.89Å; V283-Y285 HydrophobicContact CB-CE2 4.14Å; V283-Y285 HydrophobicContact CG1-CD2 3.99Å; V283-Y285 HydrophobicContact CG1-CE2 3.24Å; V283-Y285 HydrophobicContact CG2-CD1 4.19Å; V283-Y285 HydrophobicContact CG2-CD2 4.15Å; V283-Y285 HydrophobicContact CG2-CE1 3.76Å; V283-Y285 HydrophobicContact CG2-CE2 3.78Å; V283-Y285 HydrophobicContact CG2-CG 4.36Å; V283-A290 HydrophobicContact CG2-CB 4.42Å; V283-V291 CarbonylContact C-O 3.58Å; V283-V291 WeakPolarHBondContact CA-O 3.44Å; V283-F292 HydrophobicContact CB-CD1 3.83Å; V283-F292 HydrophobicContact CB-CE1 3.89Å; V283-F292 HydrophobicContact CB-CG 4.41Å; V283-F292 HydrophobicContact CG2-CD1 3.83Å; V283-F292 HydrophobicContact CG2-CD2 4.27Å; V283-F292 HydrophobicContact CG2-CE1 3.68Å; V283-F292 HydrophobicContact CG2-CE2 4.13Å; V283-F292 HydrophobicContact CG2-CG 4.11Å; V283-F292 HydrophobicContact CG2-CZ 3.82Å
284	S	98.2	Very high	96.9	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.2	171.2	-60	0	0	0	0	108	A129 Q155 V291 E293	A129-S284 CarbonylContact O-C 3.59Å; A129-S284 WeakPolarHBondContact O-CA 3.43Å; Q155-S284 PolarHBondContact NE2-OG 3.3Å; Q155-S284 PolarHBondContact OE1-OG 3.4Å; S284-V291 PolarHBondContact N-O 3.39Å; S284-V291 PolarHBondContact O-N 3.12Å; S284-E293 PolarHBondContact OG-OE1 2.99Å
285	Y	98.5	Very high	96.7	Very high	44 Å²	44	19.1 Å²	19.1	17%	0.173	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.2	-178	-69.6	-71.6	0	0	0	111.5	L127 F128 A129 V131 F189 V283 A290 H324	L127-Y285 CarbonylContact C-O 3.59Å; L127-Y285 WeakPolarHBondContact CA-O 3.48Å; F128-Y285 PolarHBondContact N-O 3.37Å; A129-Y285 PolarHBondContact N-O 3.23Å; A129-Y285 PolarHBondContact O-N 3.44Å; V131-Y285 HydrophobicContact CB-CE2 4.38Å; V131-Y285 HydrophobicContact CG2-CD2 3.86Å; V131-Y285 HydrophobicContact CG2-CE2 3.85Å; F189-Y285 HydrophobicContact CE1-CD2 4.44Å; F189-Y285 AromaticContact CE2-CD2 3.93Å; F189-Y285 HydrophobicContact CE2-CD2 3.93Å; F189-Y285 HydrophobicContact CE2-CG 4.12Å; F189-Y285 AromaticContact CZ-CD2 3.42Å; F189-Y285 HydrophobicContact CZ-CD2 3.42Å; F189-Y285 VanDerWaalsContact CZ-CD2 3.42Å; F189-Y285 AromaticContact CZ-CE2 3.96Å; F189-Y285 HydrophobicContact CZ-CE2 3.96Å; F189-Y285 HydrophobicContact CZ-CG 4.08Å; V283-Y285 HydrophobicContact CB-CE2 4.14Å; V283-Y285 HydrophobicContact CG1-CD2 3.99Å; V283-Y285 HydrophobicContact CG1-CE2 3.24Å; V283-Y285 HydrophobicContact CG2-CD1 4.19Å; V283-Y285 HydrophobicContact CG2-CD2 4.15Å; V283-Y285 HydrophobicContact CG2-CE1 3.76Å; V283-Y285 HydrophobicContact CG2-CE2 3.78Å; V283-Y285 HydrophobicContact CG2-CG 4.36Å; Y285-A290 HydrophobicContact CD1-CB 3.77Å; Y285-A290 HydrophobicContact CE1-CB 3.72Å; Y285-H324 AromaticContact CE1-CE1 3.87Å
286	S	97.7	Very high	96.5	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.063	10%	0.103	C	C	.	.			trans	-109.5	-172.2	153.6	76.1	0	0	0	0	110	L125 D126 E288 F289	L125-S286 WeakPolarHBondContact O-CB 3.18Å; L125-S286 PolarHBondContact O-OG 3.3Å; D126-S286 WeakPolarHBondContact O-CA 3.31Å; D126-S286 WeakPolarHBondContact O-CB 3.45Å; S286-E288 PolarHBondContact O-N 3.19Å; S286-E288 PolarHBondContact OG-N 3.31Å; S286-E288 VanDerWaalsContact OG-N 3.12Å; S286-F289 PolarHBondContact N-O 2.84Å; S286-F289 WeakPolarHBondContact OG-CB 2.97Å; S286-F289 WeakPolarHBondContact OG-CD2 3.32Å; S286-F289 PolarHBondContact OG-N 3.13Å
287	H	95.5	Very high	95.9	Very high	95 Å²	95	19.6 Å²	19.6	44%	0.44	10%	0.101	S	C	.	.	S	Bend	trans	-65.2	-26.9	169.8	-66.8	-64.7	0	0	0	113.1	F3 F128	F3-H287 WeakPolarHBondContact CD2-O 3.48Å; F128-H287 AromaticContact CE1-CE1 3.82Å; F128-H287 AromaticContact CE1-NE2 3.82Å
288	E	96.4	Very high	95.4	Very high	116 Å²	116	22.4 Å²	22.4	54%	0.542	11%	0.108	S	C	.	.	S	Bend	trans	-114.7	-28	-174.8	-66.2	-157.2	176.2	0	0	114.7	K98 S286	K98-E288 IonicContact NZ-OE2 2.99Å; K98-E288 PolarHBondContact NZ-OE2 3.47Å; S286-E288 PolarHBondContact O-N 3.19Å; S286-E288 PolarHBondContact OG-N 3.31Å; S286-E288 VanDerWaalsContact OG-N 3.12Å
289	F	98.1	Very high	94.7	Very high	22 Å²	22	22.5 Å²	22.5	10%	0.096	11%	0.106	C	C	.	.			trans	-121.9	152.3	-166.1	-43.4	-57.1	0	0	0	111.9	V94 T95 K98 L125 L127 S286	V94-F289 HydrophobicContact CG1-CB 4.23Å; V94-F289 HydrophobicContact CG1-CG 4.42Å; T95-F289 HydrophobicContact CG2-CE1 4.3Å; T95-F289 HydrophobicContact CG2-CZ 4.11Å; K98-F289 HydrophobicContact CD-CD1 3.7Å; K98-F289 HydrophobicContact CD-CE1 3.54Å; K98-F289 VanDerWaalsContact O-CA 3.3Å; K98-F289 WeakPolarHBondContact O-CA 3.17Å; L125-F289 HydrophobicContact CB-CD2 4.01Å; L125-F289 HydrophobicContact CB-CE2 4.45Å; L125-F289 HydrophobicContact CD2-CD2 3.79Å; L125-F289 HydrophobicContact CD2-CE2 3.8Å; L125-F289 HydrophobicContact CD2-CG 4.45Å; L125-F289 HydrophobicContact CD2-CZ 4.44Å; L125-F289 HydrophobicContact CG-CD2 4.48Å; L125-F289 WeakPolarHBondContact O-CD2 3.15Å; L127-F289 HydrophobicContact CD2-CB 4.37Å; S286-F289 PolarHBondContact N-O 2.84Å; S286-F289 WeakPolarHBondContact OG-CB 2.97Å; S286-F289 WeakPolarHBondContact OG-CD2 3.32Å; S286-F289 PolarHBondContact OG-N 3.13Å
290	A	98.4	Very high	94.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.7	170.5	0	0	0	0	0	110.4	K98 V99 A100 V283 Y285 F292	K98-A290 PolarHBondContact O-N 3.2Å; K98-A290 VanDerWaalsContact O-N 3.15Å; V99-A290 CarbonylContact C-O 3.23Å; V99-A290 VanDerWaalsContact CA-O 3.3Å; V99-A290 WeakPolarHBondContact CA-O 3.43Å; A100-A290 PolarHBondContact N-O 2.81Å; V283-A290 HydrophobicContact CG2-CB 4.42Å; Y285-A290 HydrophobicContact CD1-CB 3.77Å; Y285-A290 HydrophobicContact CE1-CB 3.72Å; A290-F292 HydrophobicContact CB-CD2 4.47Å; A290-F292 HydrophobicContact CB-CE2 3.73Å; A290-F292 HydrophobicContact CB-CZ 4.32Å
291	V	98.5	Very high	93.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.9	177.2	-180	0	0	0	0	108.6	V94 A100 K102 M121 L127 V283 S284	V94-V291 HydrophobicContact CG1-CG2 4.21Å; A100-V291 HydrophobicContact CB-CG1 4.3Å; A100-V291 HydrophobicContact CB-CG2 4.13Å; K102-V291 HydrophobicContact CB-CG1 3.67Å; K102-V291 HydrophobicContact CD-CG1 3.99Å; K102-V291 HydrophobicContact CG-CG1 4.42Å; M121-V291 HydrophobicContact CE-CG2 4.29Å; L127-V291 HydrophobicContact CD1-CB 4.16Å; L127-V291 HydrophobicContact CD1-CG2 3.72Å; L127-V291 HydrophobicContact CD2-CG2 4.12Å; V283-V291 CarbonylContact C-O 3.58Å; V283-V291 WeakPolarHBondContact CA-O 3.44Å; S284-V291 PolarHBondContact N-O 3.39Å; S284-V291 PolarHBondContact O-N 3.12Å
292	F	98.6	Very high	93.1	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131	178	-66.8	-94	0	0	0	109.6	V99 A100 L101 K102 V283 A290 A317 N320 L321 H324	V99-F292 HydrophobicContact CG2-CD2 4.03Å; V99-F292 HydrophobicContact CG2-CE2 3.92Å; A100-F292 PolarHBondContact O-N 3.13Å; L101-F292 CarbonylContact C-O 3.51Å; L101-F292 WeakPolarHBondContact CA-O 3.49Å; L101-F292 HydrophobicContact CD1-CB 3.83Å; K102-F292 PolarHBondContact N-O 3.14Å; V283-F292 HydrophobicContact CB-CD1 3.83Å; V283-F292 HydrophobicContact CB-CE1 3.89Å; V283-F292 HydrophobicContact CB-CG 4.41Å; V283-F292 HydrophobicContact CG2-CD1 3.83Å; V283-F292 HydrophobicContact CG2-CD2 4.27Å; V283-F292 HydrophobicContact CG2-CE1 3.68Å; V283-F292 HydrophobicContact CG2-CE2 4.13Å; V283-F292 HydrophobicContact CG2-CG 4.11Å; V283-F292 HydrophobicContact CG2-CZ 3.82Å; A290-F292 HydrophobicContact CB-CD2 4.47Å; A290-F292 HydrophobicContact CB-CE2 3.73Å; A290-F292 HydrophobicContact CB-CZ 4.32Å; F292-A317 HydrophobicContact CB-CB 4.42Å; F292-A317 WeakPolarHBondContact CD1-O 3.35Å; F292-N320 HydrophobicContact CD1-CB 3.93Å; F292-N320 VanDerWaalsContact CE1-C 3.47Å; F292-N320 HydrophobicContact CE1-CB 3.77Å; F292-L321 HydrophobicContact CB-CB 4.17Å; F292-L321 HydrophobicContact CB-CD1 4.24Å; F292-L321 HydrophobicContact CD1-CB 4.05Å; F292-L321 HydrophobicContact CD2-CB 3.57Å; F292-L321 HydrophobicContact CD2-CD1 3.78Å; F292-L321 HydrophobicContact CD2-CG 3.68Å; F292-L321 HydrophobicContact CE1-CB 4.4Å; F292-L321 HydrophobicContact CE2-CB 3.96Å; F292-L321 HydrophobicContact CE2-CG 4.05Å; F292-L321 HydrophobicContact CG-CB 3.64Å; F292-L321 HydrophobicContact CG-CD1 4.23Å; F292-L321 HydrophobicContact CG-CG 4.22Å; F292-L321 HydrophobicContact CZ-CB 4.37Å; F292-H324 HydrophobicContact CE1-CB 4.49Å; F292-H324 HydrophobicContact CE2-CB 3.97Å; F292-H324 HydrophobicContact CZ-CB 3.48Å; F292-H324 VanDerWaalsContact CZ-CB 3.48Å; F292-H324 AromaticContact CZ-CG 3.76Å
293	E	97.1	Very high	92.6	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167.8	-176.6	63.8	-179.5	164.7	0	0	109.2	K102 G282 S284 R297	K102-E293 HydrophobicContact CB-CB 4.42Å; K102-E293 IonicContact NZ-OE2 3.08Å; K102-E293 PolarHBondContact NZ-OE2 3.17Å; K102-E293 WeakPolarHBondContact O-CA 3.4Å; K102-E293 VanDerWaalsContact O-CB 3.27Å; K102-E293 WeakPolarHBondContact O-CB 3.27Å; G282-E293 CarbonylContact C-O 3.56Å; G282-E293 VanDerWaalsContact C-O 3.23Å; G282-E293 VanDerWaalsContact CA-O 3.25Å; G282-E293 WeakPolarHBondContact CA-O 3.5Å; G282-E293 PolarHBondContact N-O 2.91Å; G282-E293 PolarHBondContact O-N 2.72Å; G282-E293 VanDerWaalsContact O-N 3.15Å; S284-E293 PolarHBondContact OG-OE1 2.99Å; E293-R297 IonicContact OE1-CZ 2.84Å; E293-R297 IonicContact OE1-NH1 3.19Å; E293-R297 PolarHBondContact OE1-NH1 2.79Å; E293-R297 IonicContact OE1-NH2 3.72Å; E293-R297 PolarHBondContact OE1-NH2 3.25Å; E293-R297 IonicContact OE2-NH1 2.79Å; E293-R297 PolarHBondContact OE2-NH1 2.6Å
294	P	95.8	Very high	92.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	140.1	169.1	-15.8	28.3	0	0	0	110.2	W50 K102 I104 T296 A313 I314	W50-P294 HydrophobicContact CE3-CG 4.07Å; W50-P294 HydrophobicContact CH2-CB 3.71Å; W50-P294 HydrophobicContact CH2-CG 2.93Å; W50-P294 HydrophobicContact CZ2-CB 4.12Å; W50-P294 HydrophobicContact CZ2-CG 3.44Å; W50-P294 VanDerWaalsContact CZ2-CG 3.44Å; W50-P294 HydrophobicContact CZ3-CB 4.42Å; W50-P294 HydrophobicContact CZ3-CG 3.27Å; K102-P294 WeakPolarHBondContact O-CD 3.28Å; I104-P294 HydrophobicContact CD1-CB 4.48Å; I104-P294 HydrophobicContact CD1-CG 4.15Å; I104-P294 HydrophobicContact CG1-CG 4.33Å; P294-T296 PolarHBondContact O-N 3.15Å; P294-A313 HydrophobicContact CB-CB 4.28Å; P294-I314 HydrophobicContact CG-CD1 4.44Å
295	G	92.9	Very high	92.1	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	-67	-27.8	-176.3	0	0	0	0	0	113	V280	V280-G295 PolarHBondContact O-N 2.76Å
296	T	88.1	Confident	91.9	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.025	25%	0.246	C	C	.	.	S	Bend	trans	-102.9	140.5	171.4	64	0	0	0	0	111.1	A271 A277 P294 H298	A271-T296 HydrophobicContact CB-CG2 3.35Å; A277-T296 VanDerWaalsContact CA-OG1 3.26Å; A277-T296 WeakPolarHBondContact CA-OG1 3.3Å; A277-T296 HydrophobicContact CB-CG2 4.36Å; A277-T296 WeakPolarHBondContact CB-OG1 3.41Å; A277-T296 PolarHBondContact O-OG1 2.95Å; P294-T296 PolarHBondContact O-N 3.15Å; T296-H298 VanDerWaalsContact C-N 3.32Å; T296-H298 PolarHBondContact O-N 2.78Å; T296-H298 VanDerWaalsContact O-N 3.16Å
297	R	82.4	Confident	91.9	Very high	49 Å²	49	48.7 Å²	48.7	19%	0.185	26%	0.257	C	S	.	.			trans	-94.1	49	-170.3	-58.7	178.2	-177.4	-75.7	-8.6	113	I104 N130 E293	I104-R297 HydrophobicContact CD1-CB 4.37Å; I104-R297 HydrophobicContact CD1-CG 4.47Å; I104-R297 HydrophobicContact CG2-CB 4.45Å; I104-R297 WeakPolarHBondContact CG2-O 3.26Å; N130-R297 PolarHBondContact OD1-NH2 2.93Å; E293-R297 IonicContact OE1-CZ 2.84Å; E293-R297 IonicContact OE1-NH1 3.19Å; E293-R297 PolarHBondContact OE1-NH1 2.79Å; E293-R297 IonicContact OE1-NH2 3.72Å; E293-R297 PolarHBondContact OE1-NH2 3.25Å; E293-R297 IonicContact OE2-NH1 2.79Å; E293-R297 PolarHBondContact OE2-NH1 2.6Å
298	H	83.8	Confident	91.9	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.435	25%	0.253	S	S	.	.			trans	-95.3	120.4	178.4	-66.5	-71.7	0	0	0	111	W50 N268 T296 F300	W50-H298 WeakPolarHBondContact CZ2-O 3.28Å; W50-H298 PolarHBondContact NE1-O 2.91Å; N268-H298 PolarHBondContact OD1-NE2 3.03Å; T296-H298 VanDerWaalsContact C-N 3.32Å; T296-H298 PolarHBondContact O-N 2.78Å; T296-H298 VanDerWaalsContact O-N 3.16Å; H298-F300 VanDerWaalsContact C-N 3.3Å
299	S	81	Confident	91.9	Very high	19 Å²	19	42.2 Å²	42.2	13%	0.133	23%	0.228	C	C	.	.			trans	-78.3	-17.4	176.1	73.1	0	0	0	0	113.5	V49 N301	V49-S299 PolarHBondContact N-O 3.37Å; S299-N301 VanDerWaalsContact CB-OD1 3.31Å; S299-N301 WeakPolarHBondContact CB-OD1 3.35Å; S299-N301 PolarHBondContact O-N 3.29Å; S299-N301 PolarHBondContact OG-ND2 3.45Å; S299-N301 VanDerWaalsContact OG-ND2 3.14Å; S299-N301 PolarHBondContact OG-OD1 2.73Å
300	F	87.1	Confident	91.8	Very high	107 Å²	107	41.7 Å²	41.7	47%	0.469	23%	0.226	S	C	.	.			trans	48.6	39.6	-179.4	-162.2	-151.1	0	0	0	114	V49 H298 L302 A303	V49-F300 HydrophobicContact CG1-CB 4.24Å; V49-F300 HydrophobicContact CG1-CD1 4.13Å; V49-F300 HydrophobicContact CG1-CG 4.45Å; V49-F300 WeakPolarHBondContact CG1-O 3.33Å; V49-F300 HydrophobicContact CG2-CB 4.02Å; H298-F300 VanDerWaalsContact C-N 3.3Å; F300-L302 PolarHBondContact O-N 3.27Å; F300-A303 HydrophobicContact CD1-CB 3.47Å; F300-A303 VanDerWaalsContact CD1-CB 3.47Å; F300-A303 HydrophobicContact CD2-CB 4.08Å; F300-A303 HydrophobicContact CE1-CB 3.29Å; F300-A303 HydrophobicContact CE2-CB 3.91Å; F300-A303 HydrophobicContact CG-CB 3.87Å; F300-A303 HydrophobicContact CZ-CB 3.52Å; F300-A303 PolarHBondContact O-N 2.86Å
301	N	82.7	Confident	91.7	Very high	49 Å²	49	41.7 Å²	41.7	26%	0.262	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-52.9	-34.1	-172.2	-67.2	-18.7	0	0	0	114.4	G48 R106 S299 A303 S304	G48-N301 WeakPolarHBondContact CA-OD1 2.97Å; R106-N301 VanDerWaalsContact CD-ND2 3.26Å; R106-N301 WeakPolarHBondContact CD-ND2 3.27Å; S299-N301 VanDerWaalsContact CB-OD1 3.31Å; S299-N301 WeakPolarHBondContact CB-OD1 3.35Å; S299-N301 PolarHBondContact O-N 3.29Å; S299-N301 PolarHBondContact OG-ND2 3.45Å; S299-N301 VanDerWaalsContact OG-ND2 3.14Å; S299-N301 PolarHBondContact OG-OD1 2.73Å; N301-A303 PolarHBondContact O-N 3.48Å; N301-A303 VanDerWaalsContact O-N 3.16Å; N301-S304 WeakPolarHBondContact O-CB 3.17Å; N301-S304 PolarHBondContact O-N 2.93Å
302	L	87.6	Confident	91.6	Very high	150 Å²	150	41.6 Å²	41.6	79%	0.785	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-63	-19.3	179.6	-67.1	174	0	0	0	113.5	F300 K306	F300-L302 PolarHBondContact O-N 3.27Å; L302-K306 WeakPolarHBondContact O-CD 3.49Å; L302-K306 WeakPolarHBondContact O-CE 3.48Å; L302-K306 PolarHBondContact O-NZ 3.46Å
303	A	88.8	Confident	91.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-98.9	-0.7	176.2	0	0	0	0	0	113.6	V49 F300 N301 G305 K306 M308	V49-A303 HydrophobicContact CG1-CB 3.79Å; F300-A303 HydrophobicContact CD1-CB 3.47Å; F300-A303 VanDerWaalsContact CD1-CB 3.47Å; F300-A303 HydrophobicContact CD2-CB 4.08Å; F300-A303 HydrophobicContact CE1-CB 3.29Å; F300-A303 HydrophobicContact CE2-CB 3.91Å; F300-A303 HydrophobicContact CG-CB 3.87Å; F300-A303 HydrophobicContact CZ-CB 3.52Å; F300-A303 PolarHBondContact O-N 2.86Å; N301-A303 PolarHBondContact O-N 3.48Å; N301-A303 VanDerWaalsContact O-N 3.16Å; A303-G305 PolarHBondContact O-N 2.91Å; A303-K306 WeakPolarHBondContact O-CB 3.31Å; A303-K306 PolarHBondContact O-N 2.91Å; A303-M308 HydrophobicContact CB-CG 3.86Å; A303-M308 HydrophobicContact CB-SD 3.99Å
304	S	91.7	Very high	91.6	Very high	60 Å²	60	41.5 Å²	41.5	42%	0.42	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	126.1	179.6	-172.5	0	0	0	0	111	G48 N301 K306	G48-S304 PolarHBondContact O-OG 3.3Å; N301-S304 WeakPolarHBondContact O-CB 3.17Å; N301-S304 PolarHBondContact O-N 2.93Å; S304-K306 PolarHBondContact O-N 3.41Å
305	G	93	Very high	91.7	Very high	68 Å²	68	41.4 Å²	41.4	70%	0.701	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	7.1	179.7	0	0	0	0	0	114.9	A303	A303-G305 PolarHBondContact O-N 2.91Å
306	K	95.6	Very high	92	Very high	126 Å²	126	41.4 Å²	41.4	55%	0.548	22%	0.224	S	C	.	.	S	Bend	trans	-95.4	0.5	179.2	-63.1	-172.2	-178.2	165.6	0	113.8	L302 A303 S304 M308	L302-K306 WeakPolarHBondContact O-CD 3.49Å; L302-K306 WeakPolarHBondContact O-CE 3.48Å; L302-K306 PolarHBondContact O-NZ 3.46Å; A303-K306 WeakPolarHBondContact O-CB 3.31Å; A303-K306 PolarHBondContact O-N 2.91Å; S304-K306 PolarHBondContact O-N 3.41Å; K306-M308 VanDerWaalsContact C-N 3.29Å; K306-M308 HydrophobicContact CB-CE 4.44Å; K306-M308 HydrophobicContact CB-CG 3.87Å; K306-M308 HydrophobicContact CB-SD 4.07Å; K306-M308 HydrophobicContact CD-SD 4.28Å; K306-M308 PolarHBondContact O-N 3.15Å
307	N	96.1	Very high	92.5	Very high	54 Å²	54	41.2 Å²	41.2	29%	0.289	22%	0.223	S	C	.	.	S	Bend	trans	55.1	41.7	177.8	-162.6	9.5	0	0	0	113.5	E52 S357 T358 T359	E52-N307 VanDerWaalsContact OE1-CA 3.29Å; E52-N307 WeakPolarHBondContact OE1-CA 3.43Å; N307-S357 CarbonylContact O-C 3.49Å; N307-S357 WeakPolarHBondContact O-CA 3.29Å; N307-S357 WeakPolarHBondContact O-CB 3.34Å; N307-T358 PolarHBondContact O-N 3.22Å; N307-T358 WeakPolarHBondContact OD1-CA 3.21Å; N307-T358 WeakPolarHBondContact OD1-CB 3.43Å; N307-T358 PolarHBondContact OD1-N 3.01Å; N307-T358 PolarHBondContact OD1-OG1 3.38Å; N307-T359 PolarHBondContact ND2-OG1 3.15Å; N307-T359 PolarHBondContact OD1-N 2.76Å; N307-T359 PolarHBondContact OD1-OG1 3.45Å
308	M	95.8	Very high	93.3	Very high	74 Å²	74	38.9 Å²	38.9	37%	0.365	21%	0.214	S	C	.	.			trans	-133.8	4.5	-175.2	62.4	170.9	32.4	0	0	114.1	A303 K306 T358	A303-M308 HydrophobicContact CB-CG 3.86Å; A303-M308 HydrophobicContact CB-SD 3.99Å; K306-M308 VanDerWaalsContact C-N 3.29Å; K306-M308 HydrophobicContact CB-CE 4.44Å; K306-M308 HydrophobicContact CB-CG 3.87Å; K306-M308 HydrophobicContact CB-SD 4.07Å; K306-M308 HydrophobicContact CD-SD 4.28Å; K306-M308 PolarHBondContact O-N 3.15Å; M308-T358 PolarHBondContact N-OG1 3.18Å; M308-T358 VanDerWaalsContact N-OG1 3.13Å
309	A	96	Very high	94	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	19%	0.193	C	C	.	.			trans	-78	138.2	-177.7	0	0	0	0	0	110.3	V49 L53 P311 T358	V49-A309 HydrophobicContact CB-CB 3.67Å; V49-A309 HydrophobicContact CG1-CB 3.83Å; V49-A309 HydrophobicContact CG2-CB 3.94Å; L53-A309 HydrophobicContact CD1-CB 4.26Å; L53-A309 HydrophobicContact CD2-CB 3.72Å; L53-A309 HydrophobicContact CG-CB 4.12Å; A309-P311 VanDerWaalsContact O-CD 3.3Å; A309-P311 WeakPolarHBondContact O-CD 3.38Å; A309-T358 PolarHBondContact N-OG1 3.16Å; A309-T358 WeakPolarHBondContact O-CG2 3.21Å; A309-T358 PolarHBondContact O-OG1 3.49Å; A309-T358 VanDerWaalsContact O-OG1 3.09Å
310	N	95.9	Very high	94.8	Very high	11 Å²	11	35 Å²	35	6%	0.059	20%	0.195	C	C	.	.			trans	-79.1	117.1	178.6	-171.4	-13.7	0	0	0	111.2	T312 T349 D351	N310-T312 VanDerWaalsContact C-N 3.26Å; N310-T312 PolarHBondContact O-N 2.86Å; N310-T312 WeakPolarHBondContact OD1-CB 3.31Å; N310-T312 PolarHBondContact OD1-N 2.96Å; N310-T312 PolarHBondContact OD1-OG1 3.29Å; N310-T349 HydrophobicContact CB-CG2 4.43Å; N310-T349 WeakPolarHBondContact CB-OG1 3.19Å; N310-T349 VanDerWaalsContact CG-OG1 3.24Å; N310-T349 PolarHBondContact ND2-OG1 3.01Å; N310-D351 WeakPolarHBondContact CB-OD1 3.49Å; N310-D351 VanDerWaalsContact CB-OD2 3.26Å; N310-D351 WeakPolarHBondContact CB-OD2 3.27Å; N310-D351 PolarHBondContact ND2-OD1 3.06Å; N310-D351 PolarHBondContact ND2-OD2 3.08Å
311	P	97	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.			trans	-80.4	-1.7	179.6	33.9	-35.4	0	0	0	113.6	L53 C56 A309 A313 I314 L315 F361	L53-P311 HydrophobicContact CD2-CB 3.91Å; C56-P311 HydrophobicContact CB-CB 4.41Å; A309-P311 VanDerWaalsContact O-CD 3.3Å; A309-P311 WeakPolarHBondContact O-CD 3.38Å; P311-A313 PolarHBondContact O-N 2.77Å; P311-I314 VanDerWaalsContact O-CG2 3.26Å; P311-I314 WeakPolarHBondContact O-CG2 3.33Å; P311-I314 PolarHBondContact O-N 2.91Å; P311-L315 HydrophobicContact CB-CD1 4.01Å; P311-L315 HydrophobicContact CB-CG 4.32Å; P311-L315 HydrophobicContact CG-CD1 4.2Å; P311-L315 WeakPolarHBondContact O-CB 3.44Å; P311-L315 VanDerWaalsContact O-CG 3.32Å; P311-L315 WeakPolarHBondContact O-CG 3.36Å; P311-L315 PolarHBondContact O-N 3.24Å; P311-F361 HydrophobicContact CG-CD1 3.37Å; P311-F361 HydrophobicContact CG-CE1 3.73Å; P311-F361 HydrophobicContact CG-CG 4.12Å
312	T	97.5	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.5	-50.7	-172.3	-62.6	0	0	0	0	112.8	L137 G278 V279 N310 I314 L315 L316 L338 I342 F361	L137-T312 HydrophobicContact CD1-CG2 4.06Å; G278-T312 WeakPolarHBondContact O-CB 3.45Å; V279-T312 HydrophobicContact CB-CG2 4.09Å; V279-T312 HydrophobicContact CG1-CG2 3.98Å; N310-T312 VanDerWaalsContact C-N 3.26Å; N310-T312 PolarHBondContact O-N 2.86Å; N310-T312 WeakPolarHBondContact OD1-CB 3.31Å; N310-T312 PolarHBondContact OD1-N 2.96Å; N310-T312 PolarHBondContact OD1-OG1 3.29Å; T312-I314 VanDerWaalsContact C-N 3.33Å; T312-I314 PolarHBondContact O-N 3.19Å; T312-L315 PolarHBondContact O-N 3.02Å; T312-L316 HydrophobicContact CG2-CD1 3.98Å; T312-L316 HydrophobicContact CG2-CG 4.36Å; T312-L316 WeakPolarHBondContact O-CB 3.3Å; T312-L316 WeakPolarHBondContact O-CG 3.38Å; T312-L316 PolarHBondContact O-N 2.92Å; T312-L338 HydrophobicContact CG2-CD1 4.44Å; T312-L338 HydrophobicContact CG2-CD2 4.17Å; T312-I342 HydrophobicContact CG2-CD1 3.69Å; T312-F361 WeakPolarHBondContact OG1-CZ 3.18Å
313	A	97.6	Very high	96.5	Very high	1 Å²	1	24 Å²	24	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-44	-178	0	0	0	0	0	112.5	G278 V280 P294 P311 L316 A317	G278-A313 VanDerWaalsContact O-CB 3.28Å; G278-A313 WeakPolarHBondContact O-CB 3.27Å; G278-A313 PolarHBondContact O-N 3.42Å; V280-A313 WeakPolarHBondContact O-CB 3.42Å; P294-A313 HydrophobicContact CB-CB 4.28Å; P311-A313 PolarHBondContact O-N 2.77Å; A313-L316 PolarHBondContact O-N 3.4Å; A313-A317 WeakPolarHBondContact O-CB 3.16Å; A313-A317 PolarHBondContact O-N 2.99Å
314	I	97.8	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-77.9	-31.8	-178.1	-166	64.5	0	0	0	112.6	W50 L53 F54 V57 L101 P294 P311 T312 L316 A317 S318	W50-I314 HydrophobicContact CZ3-CB 3.93Å; W50-I314 HydrophobicContact CZ3-CD1 4.48Å; W50-I314 HydrophobicContact CZ3-CG1 4.36Å; W50-I314 HydrophobicContact CZ3-CG2 4.31Å; L53-I314 HydrophobicContact CB-CG2 4.22Å; F54-I314 HydrophobicContact CD1-CG1 4.31Å; F54-I314 HydrophobicContact CE1-CD1 3.71Å; F54-I314 HydrophobicContact CE1-CG1 3.59Å; F54-I314 HydrophobicContact CZ-CD1 3.88Å; F54-I314 HydrophobicContact CZ-CG1 4.13Å; V57-I314 HydrophobicContact CG2-CB 4.49Å; V57-I314 HydrophobicContact CG2-CG1 3.98Å; V57-I314 HydrophobicContact CG2-CG2 3.85Å; L101-I314 HydrophobicContact CD1-CD1 3.76Å; L101-I314 HydrophobicContact CG-CD1 4.08Å; P294-I314 HydrophobicContact CG-CD1 4.44Å; P311-I314 VanDerWaalsContact O-CG2 3.26Å; P311-I314 WeakPolarHBondContact O-CG2 3.33Å; P311-I314 PolarHBondContact O-N 2.91Å; T312-I314 VanDerWaalsContact C-N 3.33Å; T312-I314 PolarHBondContact O-N 3.19Å; I314-L316 VanDerWaalsContact C-N 3.35Å; I314-A317 HydrophobicContact CD1-CB 4.34Å; I314-A317 PolarHBondContact O-N 2.89Å; I314-S318 VanDerWaalsContact O-CB 3.29Å; I314-S318 WeakPolarHBondContact O-CB 3.1Å; I314-S318 PolarHBondContact O-N 2.71Å; I314-S318 PolarHBondContact O-OG 3.36Å
315	L	98.2	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-39.5	171.3	-71.6	172.9	0	0	0	111.1	V57 V60 P311 T312 S318 A319 L338 F361	V57-L315 HydrophobicContact CG2-CD2 4.1Å; V60-L315 HydrophobicContact CB-CD2 4.15Å; V60-L315 HydrophobicContact CG1-CD2 4.26Å; V60-L315 HydrophobicContact CG2-CD2 3.97Å; P311-L315 HydrophobicContact CB-CD1 4.01Å; P311-L315 HydrophobicContact CB-CG 4.32Å; P311-L315 HydrophobicContact CG-CD1 4.2Å; P311-L315 WeakPolarHBondContact O-CB 3.44Å; P311-L315 VanDerWaalsContact O-CG 3.32Å; P311-L315 WeakPolarHBondContact O-CG 3.36Å; P311-L315 PolarHBondContact O-N 3.24Å; T312-L315 PolarHBondContact O-N 3.02Å; L315-S318 WeakPolarHBondContact O-CB 3.11Å; L315-S318 PolarHBondContact O-N 2.9Å; L315-A319 PolarHBondContact O-N 2.97Å; L315-L338 HydrophobicContact CB-CD2 3.87Å; L315-L338 HydrophobicContact CD1-CD1 4.16Å; L315-F361 HydrophobicContact CD1-CE1 4.49Å
316	L	98.3	Very high	97.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-42.5	172.5	-71.5	178.8	0	0	0	112.2	L137 V279 P281 T312 A313 I314 S318 A319 N320 E335 L338	L137-L316 HydrophobicContact CD1-CD1 4.15Å; V279-L316 WeakPolarHBondContact O-CD1 3.16Å; P281-L316 HydrophobicContact CB-CB 3.77Å; P281-L316 HydrophobicContact CG-CB 3.85Å; P281-L316 HydrophobicContact CG-CD1 4.34Å; T312-L316 HydrophobicContact CG2-CD1 3.98Å; T312-L316 HydrophobicContact CG2-CG 4.36Å; T312-L316 WeakPolarHBondContact O-CB 3.3Å; T312-L316 WeakPolarHBondContact O-CG 3.38Å; T312-L316 PolarHBondContact O-N 2.92Å; A313-L316 PolarHBondContact O-N 3.4Å; I314-L316 VanDerWaalsContact C-N 3.35Å; L316-S318 VanDerWaalsContact C-N 3.26Å; L316-S318 PolarHBondContact O-N 3.24Å; L316-A319 PolarHBondContact O-N 3.42Å; L316-N320 PolarHBondContact O-N 2.89Å; L316-E335 HydrophobicContact CD2-CG 4.13Å; L316-L338 HydrophobicContact CD2-CD2 3.73Å; L316-L338 HydrophobicContact CG-CD2 3.76Å
317	A	98.4	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-37.4	173.9	0	0	0	0	0	111.3	L101 P281 F292 A313 I314 N320 L321	L101-A317 HydrophobicContact CD1-CB 4.49Å; P281-A317 HydrophobicContact CB-CB 4.11Å; F292-A317 HydrophobicContact CB-CB 4.42Å; F292-A317 WeakPolarHBondContact CD1-O 3.35Å; A313-A317 WeakPolarHBondContact O-CB 3.16Å; A313-A317 PolarHBondContact O-N 2.99Å; I314-A317 HydrophobicContact CD1-CB 4.34Å; I314-A317 PolarHBondContact O-N 2.89Å; A317-N320 PolarHBondContact O-N 3.3Å; A317-L321 PolarHBondContact O-N 2.93Å
318	S	98.6	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-41.7	175	-57.4	0	0	0	0	112	L101 I314 L315 L316 N320 L321 L322	L101-S318 WeakPolarHBondContact CD2-OG 3.41Å; I314-S318 VanDerWaalsContact O-CB 3.29Å; I314-S318 WeakPolarHBondContact O-CB 3.1Å; I314-S318 PolarHBondContact O-N 2.71Å; I314-S318 PolarHBondContact O-OG 3.36Å; L315-S318 WeakPolarHBondContact O-CB 3.11Å; L315-S318 PolarHBondContact O-N 2.9Å; L316-S318 VanDerWaalsContact C-N 3.26Å; L316-S318 PolarHBondContact O-N 3.24Å; S318-N320 VanDerWaalsContact C-N 3.33Å; S318-N320 PolarHBondContact O-N 3.04Å; S318-L321 WeakPolarHBondContact O-CB 3.23Å; S318-L321 PolarHBondContact O-N 3.06Å; S318-L322 WeakPolarHBondContact O-CG 3.33Å; S318-L322 PolarHBondContact O-N 2.97Å
319	A	98.5	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-41.2	173.3	0	0	0	0	0	111.6	L315 L316 L321 L322 R323 A331 E335	L315-A319 PolarHBondContact O-N 2.97Å; L316-A319 PolarHBondContact O-N 3.42Å; A319-L321 VanDerWaalsContact C-N 3.33Å; A319-L321 PolarHBondContact O-N 3.37Å; A319-L322 PolarHBondContact O-N 2.8Å; A319-R323 PolarHBondContact O-N 3.24Å; A319-A331 HydrophobicContact CB-CB 4.44Å; A319-A331 VanDerWaalsContact O-CB 3.27Å; A319-A331 WeakPolarHBondContact O-CB 3.26Å; A319-E335 HydrophobicContact CB-CB 4.29Å
320	N	98.1	Very high	97.5	Very high	33 Å²	33	28.2 Å²	28.2	18%	0.176	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-37.7	174.5	-70.7	-15.9	0	0	0	112.4	F292 L316 A317 S318 R323 H324	F292-N320 HydrophobicContact CD1-CB 3.93Å; F292-N320 VanDerWaalsContact CE1-C 3.47Å; F292-N320 HydrophobicContact CE1-CB 3.77Å; L316-N320 PolarHBondContact O-N 2.89Å; A317-N320 PolarHBondContact O-N 3.3Å; S318-N320 VanDerWaalsContact C-N 3.33Å; S318-N320 PolarHBondContact O-N 3.04Å; N320-R323 PolarHBondContact O-N 3.25Å; N320-R323 PolarHBondContact OD1-NH1 3.49Å; N320-H324 PolarHBondContact O-N 3.3Å
321	L	98.5	Very high	97.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-58.8	-49	171.7	-176.6	157	0	0	0	110.8	V41 V99 L101 F292 A317 S318 A319 R323 H324 I325	V41-L321 HydrophobicContact CG1-CD1 3.72Å; V41-L321 HydrophobicContact CG1-CD2 4.38Å; V41-L321 HydrophobicContact CG2-CD2 4.01Å; V99-L321 HydrophobicContact CG2-CD1 3.9Å; V99-L321 HydrophobicContact CG2-CD2 4.42Å; V99-L321 HydrophobicContact CG2-CG 3.8Å; L101-L321 HydrophobicContact CB-CD1 3.91Å; L101-L321 HydrophobicContact CD1-CD1 4.26Å; F292-L321 HydrophobicContact CB-CB 4.17Å; F292-L321 HydrophobicContact CB-CD1 4.24Å; F292-L321 HydrophobicContact CD1-CB 4.05Å; F292-L321 HydrophobicContact CD2-CB 3.57Å; F292-L321 HydrophobicContact CD2-CD1 3.78Å; F292-L321 HydrophobicContact CD2-CG 3.68Å; F292-L321 HydrophobicContact CE1-CB 4.4Å; F292-L321 HydrophobicContact CE2-CB 3.96Å; F292-L321 HydrophobicContact CE2-CG 4.05Å; F292-L321 HydrophobicContact CG-CB 3.64Å; F292-L321 HydrophobicContact CG-CD1 4.23Å; F292-L321 HydrophobicContact CG-CG 4.22Å; F292-L321 HydrophobicContact CZ-CB 4.37Å; A317-L321 PolarHBondContact O-N 2.93Å; S318-L321 WeakPolarHBondContact O-CB 3.23Å; S318-L321 PolarHBondContact O-N 3.06Å; A319-L321 VanDerWaalsContact C-N 3.33Å; A319-L321 PolarHBondContact O-N 3.37Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 2.86Å; L321-H324 WeakPolarHBondContact O-CA 3.41Å; L321-H324 WeakPolarHBondContact O-CB 3.32Å; L321-H324 PolarHBondContact O-N 2.69Å; L321-I325 HydrophobicContact CD2-CD1 3.75Å; L321-I325 HydrophobicContact CD2-CG1 4.26Å; L321-I325 WeakPolarHBondContact O-CG1 3.24Å; L321-I325 PolarHBondContact O-N 2.86Å
322	L	98.4	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-42.3	179.4	-68.5	178.4	0	0	0	111.9	F61 V66 V68 S318 A319 H324 I325 N326 L327 F330 A331 I334	F61-L322 HydrophobicContact CE1-CD1 4.46Å; F61-L322 HydrophobicContact CE1-CD2 3.89Å; F61-L322 HydrophobicContact CE1-CG 4.38Å; F61-L322 HydrophobicContact CE2-CD1 4.41Å; F61-L322 HydrophobicContact CZ-CD1 3.96Å; F61-L322 HydrophobicContact CZ-CD2 4.04Å; F61-L322 HydrophobicContact CZ-CG 4Å; V66-L322 HydrophobicContact CG1-CD1 4.12Å; V66-L322 HydrophobicContact CG1-CD2 3.59Å; V68-L322 HydrophobicContact CG2-CD2 3.87Å; S318-L322 WeakPolarHBondContact O-CG 3.33Å; S318-L322 PolarHBondContact O-N 2.97Å; A319-L322 PolarHBondContact O-N 2.8Å; L322-H324 VanDerWaalsContact C-N 3.33Å; L322-H324 PolarHBondContact O-N 3.31Å; L322-I325 HydrophobicContact CD2-CD1 4.24Å; L322-I325 CarbonylContact O-C 3.53Å; L322-I325 WeakPolarHBondContact O-CG1 3.38Å; L322-I325 PolarHBondContact O-N 3.48Å; L322-N326 PolarHBondContact O-N 3.15Å; L322-L327 HydrophobicContact CB-CB 4.17Å; L322-L327 HydrophobicContact CD2-CB 4.25Å; L322-L327 HydrophobicContact CD2-CD1 3.87Å; L322-L327 WeakPolarHBondContact O-CA 3.36Å; L322-L327 WeakPolarHBondContact O-CB 3.47Å; L322-L327 PolarHBondContact O-N 2.91Å; L322-F330 HydrophobicContact CD1-CB 4.06Å; L322-A331 HydrophobicContact CB-CB 3.79Å; L322-I334 HydrophobicContact CD1-CD1 3.73Å
323	R	97.4	Very high	97.6	Very high	72 Å²	72	35.8 Å²	35.8	27%	0.272	18%	0.178	S	C	.	.	H	α-helix	trans	-60	-43.5	172.5	-67.6	-175.2	-177.7	99	8	112.2	A319 N320 L321 I325 N326 A331 N332 E335	A319-R323 PolarHBondContact O-N 3.24Å; N320-R323 PolarHBondContact O-N 3.25Å; N320-R323 PolarHBondContact OD1-NH1 3.49Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 2.86Å; R323-I325 PolarHBondContact O-N 3.31Å; R323-N326 PolarHBondContact O-N 2.96Å; R323-N326 VanDerWaalsContact O-N 3.07Å; R323-A331 HydrophobicContact CG-CB 3.52Å; R323-N332 PolarHBondContact NH2-OD1 3.49Å; R323-E335 IonicContact CZ-OE2 2.65Å; R323-E335 IonicContact NH1-OE2 2.64Å; R323-E335 PolarHBondContact NH1-OE2 3.48Å; R323-E335 IonicContact NH2-OE2 3.11Å; R323-E335 PolarHBondContact NH2-OE2 3.26Å
324	H	97	Very high	97.6	Very high	89 Å²	89	35.7 Å²	35.7	41%	0.412	18%	0.178	S	C	.	.	H	α-helix	trans	-62.2	-31.6	179.7	-174.2	80.9	0	0	0	113	Y285 F292 N320 L321 L322	Y285-H324 AromaticContact CE1-CE1 3.87Å; F292-H324 HydrophobicContact CE1-CB 4.49Å; F292-H324 HydrophobicContact CE2-CB 3.97Å; F292-H324 HydrophobicContact CZ-CB 3.48Å; F292-H324 VanDerWaalsContact CZ-CB 3.48Å; F292-H324 AromaticContact CZ-CG 3.76Å; N320-H324 PolarHBondContact O-N 3.3Å; L321-H324 WeakPolarHBondContact O-CA 3.41Å; L321-H324 WeakPolarHBondContact O-CB 3.32Å; L321-H324 PolarHBondContact O-N 2.69Å; L322-H324 VanDerWaalsContact C-N 3.33Å; L322-H324 PolarHBondContact O-N 3.31Å
325	I	96.8	Very high	97.6	Very high	20 Å²	20	36.5 Å²	36.5	10%	0.103	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	24.1	175.5	66.9	175.2	0	0	0	113.2	K39 V41 V68 V99 L321 L322 R323 L327	K39-I325 HydrophobicContact CB-CD1 4.36Å; K39-I325 HydrophobicContact CD-CB 4.18Å; K39-I325 HydrophobicContact CD-CD1 4.12Å; K39-I325 HydrophobicContact CD-CG1 4.39Å; K39-I325 PolarHBondContact NZ-O 3.21Å; V41-I325 HydrophobicContact CG2-CD1 4.28Å; V68-I325 HydrophobicContact CG2-CD1 3.9Å; V99-I325 HydrophobicContact CB-CG2 4.41Å; V99-I325 HydrophobicContact CG1-CG2 4.06Å; V99-I325 HydrophobicContact CG2-CG2 4.31Å; L321-I325 HydrophobicContact CD2-CD1 3.75Å; L321-I325 HydrophobicContact CD2-CG1 4.26Å; L321-I325 WeakPolarHBondContact O-CG1 3.24Å; L321-I325 PolarHBondContact O-N 2.86Å; L322-I325 HydrophobicContact CD2-CD1 4.24Å; L322-I325 CarbonylContact O-C 3.53Å; L322-I325 WeakPolarHBondContact O-CG1 3.38Å; L322-I325 PolarHBondContact O-N 3.48Å; R323-I325 PolarHBondContact O-N 3.31Å; I325-L327 VanDerWaalsContact C-N 3.3Å; I325-L327 HydrophobicContact CD1-CD1 3.77Å; I325-L327 HydrophobicContact CD1-CG 4.4Å; I325-L327 HydrophobicContact CG1-CB 4.46Å; I325-L327 HydrophobicContact CG1-CD1 4.01Å; I325-L327 HydrophobicContact CG1-CG 4.09Å; I325-L327 PolarHBondContact O-N 2.91Å
326	N	96.2	Very high	97.5	Very high	121 Å²	121	40.9 Å²	40.9	65%	0.647	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	31.5	176.3	-54.7	-40.6	0	0	0	114.7	L322 R323	L322-N326 PolarHBondContact O-N 3.15Å; R323-N326 PolarHBondContact O-N 2.96Å; R323-N326 VanDerWaalsContact O-N 3.07Å
327	L	97	Very high	97.5	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.079	21%	0.21	C	C	.	.			trans	-107.7	50.6	173	-63.3	179.8	0	0	0	110.4	P67 V68 L322 I325 S329 F330 A331	P67-L327 HydrophobicContact CG-CD1 3.87Å; P67-L327 HydrophobicContact CG-CD2 3.86Å; V68-L327 HydrophobicContact CG2-CD1 3.93Å; L322-L327 HydrophobicContact CB-CB 4.17Å; L322-L327 HydrophobicContact CD2-CB 4.25Å; L322-L327 HydrophobicContact CD2-CD1 3.87Å; L322-L327 WeakPolarHBondContact O-CA 3.36Å; L322-L327 WeakPolarHBondContact O-CB 3.47Å; L322-L327 PolarHBondContact O-N 2.91Å; I325-L327 VanDerWaalsContact C-N 3.3Å; I325-L327 HydrophobicContact CD1-CD1 3.77Å; I325-L327 HydrophobicContact CD1-CG 4.4Å; I325-L327 HydrophobicContact CG1-CB 4.46Å; I325-L327 HydrophobicContact CG1-CD1 4.01Å; I325-L327 HydrophobicContact CG1-CG 4.09Å; I325-L327 PolarHBondContact O-N 2.91Å; L327-S329 VanDerWaalsContact C-N 3.34Å; L327-S329 PolarHBondContact O-N 2.67Å; L327-F330 HydrophobicContact CB-CB 4.5Å; L327-F330 HydrophobicContact CB-CD2 4.15Å; L327-F330 HydrophobicContact CD2-CD2 4.27Å; L327-F330 HydrophobicContact CD2-CE2 4.46Å; L327-F330 PolarHBondContact O-N 3.46Å; L327-A331 PolarHBondContact O-N 2.85Å
328	E	96.4	Very high	97.4	Very high	122 Å²	122	41.1 Å²	41.1	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-62.8	-36.7	-171.6	-176.5	168.4	-168.6	0	0	113.3	F330 A331 N332	E328-F330 PolarHBondContact O-N 2.74Å; E328-A331 WeakPolarHBondContact O-CB 3.42Å; E328-A331 PolarHBondContact O-N 3.26Å; E328-N332 WeakPolarHBondContact O-CB 3.24Å; E328-N332 PolarHBondContact O-N 3.16Å; E328-N332 PolarHBondContact O-ND2 2.67Å
329	S	96.6	Very high	97.3	Very high	74 Å²	74	43.6 Å²	43.6	52%	0.517	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-45.9	176.4	57.6	0	0	0	0	111.9	L327 N332 K333	L327-S329 VanDerWaalsContact C-N 3.34Å; L327-S329 PolarHBondContact O-N 2.67Å; S329-N332 PolarHBondContact O-N 3.5Å; S329-K333 WeakPolarHBondContact O-CG 3.3Å; S329-K333 PolarHBondContact O-N 3.4Å; S329-K333 VanDerWaalsContact O-N 3.08Å
330	F	97.3	Very high	97.2	Very high	32 Å²	32	48.3 Å²	48.3	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-42.4	176.7	-66.5	-82.2	0	0	0	111.7	N65 V66 P67 L322 L327 E328 N332 K333 I334	N65-F330 VanDerWaalsContact O-CE1 3.31Å; N65-F330 WeakPolarHBondContact O-CE1 2.83Å; V66-F330 HydrophobicContact CB-CD1 4.4Å; V66-F330 HydrophobicContact CG2-CB 4.39Å; V66-F330 HydrophobicContact CG2-CD1 4.03Å; P67-F330 VanDerWaalsContact CD-CE2 3.49Å; P67-F330 VanDerWaalsContact CD-CZ 3.46Å; P67-F330 HydrophobicContact CG-CD2 4.39Å; P67-F330 HydrophobicContact CG-CE2 3.85Å; P67-F330 HydrophobicContact CG-CZ 4.13Å; L322-F330 HydrophobicContact CD1-CB 4.06Å; L327-F330 HydrophobicContact CB-CB 4.5Å; L327-F330 HydrophobicContact CB-CD2 4.15Å; L327-F330 HydrophobicContact CD2-CD2 4.27Å; L327-F330 HydrophobicContact CD2-CE2 4.46Å; L327-F330 PolarHBondContact O-N 3.46Å; E328-F330 PolarHBondContact O-N 2.74Å; F330-N332 VanDerWaalsContact C-N 3.32Å; F330-N332 PolarHBondContact O-N 2.9Å; F330-K333 PolarHBondContact O-N 3.27Å; F330-I334 WeakPolarHBondContact O-CG1 3.3Å; F330-I334 PolarHBondContact O-N 3.46Å; F330-I334 VanDerWaalsContact O-N 3.07Å
331	A	97.9	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.3	-47.9	174.9	0	0	0	0	0	111.8	A319 L322 R323 L327 E328 K333 I334 E335	A319-A331 HydrophobicContact CB-CB 4.44Å; A319-A331 VanDerWaalsContact O-CB 3.27Å; A319-A331 WeakPolarHBondContact O-CB 3.26Å; L322-A331 HydrophobicContact CB-CB 3.79Å; R323-A331 HydrophobicContact CG-CB 3.52Å; L327-A331 PolarHBondContact O-N 2.85Å; E328-A331 WeakPolarHBondContact O-CB 3.42Å; E328-A331 PolarHBondContact O-N 3.26Å; A331-K333 PolarHBondContact O-N 2.97Å; A331-I334 PolarHBondContact O-N 3.35Å; A331-E335 WeakPolarHBondContact O-CB 3.34Å; A331-E335 PolarHBondContact O-N 3.05Å
332	N	97.6	Very high	97	Very high	65 Å²	65	46.7 Å²	46.7	35%	0.348	24%	0.235	S	C	.	.	H	α-helix	trans	-66.3	-37.2	-178.8	-70.6	-19	0	0	0	112	R323 E328 S329 F330 T336	R323-N332 PolarHBondContact NH2-OD1 3.49Å; E328-N332 WeakPolarHBondContact O-CB 3.24Å; E328-N332 PolarHBondContact O-N 3.16Å; E328-N332 PolarHBondContact O-ND2 2.67Å; S329-N332 PolarHBondContact O-N 3.5Å; F330-N332 VanDerWaalsContact C-N 3.32Å; F330-N332 PolarHBondContact O-N 2.9Å; N332-T336 WeakPolarHBondContact O-CB 2.97Å; N332-T336 PolarHBondContact O-N 3.26Å; N332-T336 PolarHBondContact O-OG1 3.4Å
333	K	97.2	Very high	96.9	Very high	105 Å²	105	53.6 Å²	53.6	46%	0.457	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-52.3	174.4	-74.7	179.7	177.9	-171.1	0	111.9	F64 S329 F330 A331 T336 A337	F64-K333 HydrophobicContact CD1-CB 3.92Å; F64-K333 HydrophobicContact CE1-CB 4.04Å; S329-K333 WeakPolarHBondContact O-CG 3.3Å; S329-K333 PolarHBondContact O-N 3.4Å; S329-K333 VanDerWaalsContact O-N 3.08Å; F330-K333 PolarHBondContact O-N 3.27Å; A331-K333 PolarHBondContact O-N 2.97Å; K333-T336 PolarHBondContact O-N 3.39Å; K333-A337 WeakPolarHBondContact O-CB 3.33Å; K333-A337 PolarHBondContact O-N 3.3Å
334	I	97.8	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-47.2	-179.2	-66.5	173.9	0	0	0	110.7	V60 F61 F64 V66 L322 F330 A331 T336 A337 L338	V60-I334 HydrophobicContact CG1-CD1 4.05Å; V60-I334 HydrophobicContact CG1-CG1 4.01Å; V60-I334 HydrophobicContact CG1-CG2 4.01Å; F61-I334 HydrophobicContact CD2-CD1 4.18Å; F61-I334 HydrophobicContact CE2-CD1 4.02Å; F64-I334 HydrophobicContact CB-CG1 4.33Å; F64-I334 HydrophobicContact CD1-CG1 4.06Å; F64-I334 HydrophobicContact CD2-CG1 4.43Å; F64-I334 HydrophobicContact CG-CG1 4.02Å; V66-I334 HydrophobicContact CG2-CD1 3.94Å; L322-I334 HydrophobicContact CD1-CD1 3.73Å; F330-I334 WeakPolarHBondContact O-CG1 3.3Å; F330-I334 PolarHBondContact O-N 3.46Å; F330-I334 VanDerWaalsContact O-N 3.07Å; A331-I334 PolarHBondContact O-N 3.35Å; I334-T336 PolarHBondContact O-N 2.93Å; I334-A337 PolarHBondContact O-N 3.26Å; I334-L338 WeakPolarHBondContact O-CB 3.34Å; I334-L338 PolarHBondContact O-N 3.29Å
335	E	97.7	Very high	96.6	Very high	17 Å²	17	55.6 Å²	55.6	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-41.9	179.6	-178.1	168.3	172.4	0	0	111.7	R135 L316 A319 R323 A331 A337 L338 L339	R135-E335 IonicContact CZ-OE1 2.76Å; R135-E335 IonicContact NH1-OE1 3.21Å; R135-E335 PolarHBondContact NH1-OE1 3.3Å; R135-E335 IonicContact NH2-OE1 3.07Å; R135-E335 PolarHBondContact NH2-OE1 2.89Å; L316-E335 HydrophobicContact CD2-CG 4.13Å; A319-E335 HydrophobicContact CB-CB 4.29Å; R323-E335 IonicContact CZ-OE2 2.65Å; R323-E335 IonicContact NH1-OE2 2.64Å; R323-E335 PolarHBondContact NH1-OE2 3.48Å; R323-E335 IonicContact NH2-OE2 3.11Å; R323-E335 PolarHBondContact NH2-OE2 3.26Å; A331-E335 WeakPolarHBondContact O-CB 3.34Å; A331-E335 PolarHBondContact O-N 3.05Å; E335-A337 PolarHBondContact O-N 2.81Å; E335-L338 PolarHBondContact O-N 3.48Å; E335-L339 HydrophobicContact CG-CD1 3.79Å; E335-L339 HydrophobicContact CG-CG 4.08Å; E335-L339 WeakPolarHBondContact O-CB 3.23Å; E335-L339 WeakPolarHBondContact O-CG 3.4Å; E335-L339 PolarHBondContact O-N 3.43Å
336	T	97.1	Very high	96.2	Very high	91 Å²	91	60.5 Å²	60.5	56%	0.558	30%	0.304	S	S	*	.	H	α-helix	trans	-62.9	-43.6	177.6	-60.3	0	0	0	0	111.6	N332 K333 I334 L339 K340	N332-T336 WeakPolarHBondContact O-CB 2.97Å; N332-T336 PolarHBondContact O-N 3.26Å; N332-T336 PolarHBondContact O-OG1 3.4Å; K333-T336 PolarHBondContact O-N 3.39Å; I334-T336 PolarHBondContact O-N 2.93Å; T336-L339 PolarHBondContact O-N 3.48Å; T336-K340 VanDerWaalsContact O-CB 3.29Å; T336-K340 WeakPolarHBondContact O-CB 3.3Å; T336-K340 PolarHBondContact O-N 3.16Å
337	A	97.1	Very high	96.1	Very high	6 Å²	6	55.1 Å²	55.1	5%	0.05	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-50.6	175.5	0	0	0	0	0	111.5	F64 K333 I334 E335 K340 I341 V365 Q368	F64-A337 HydrophobicContact CE1-CB 4.26Å; F64-A337 HydrophobicContact CZ-CB 3.72Å; K333-A337 WeakPolarHBondContact O-CB 3.33Å; K333-A337 PolarHBondContact O-N 3.3Å; I334-A337 PolarHBondContact O-N 3.26Å; E335-A337 PolarHBondContact O-N 2.81Å; A337-K340 PolarHBondContact O-N 2.67Å; A337-I341 PolarHBondContact O-N 3.42Å; A337-I341 VanDerWaalsContact O-N 3.14Å; A337-V365 HydrophobicContact CB-CG1 4.32Å; A337-Q368 HydrophobicContact CB-CB 3.55Å; A337-Q368 HydrophobicContact CB-CG 4.02Å
338	L	97.2	Very high	96	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-51.3	178.1	177.4	61.9	0	0	0	112	T312 L315 L316 I334 E335 K340 I341 I342 F361 V365	T312-L338 HydrophobicContact CG2-CD1 4.44Å; T312-L338 HydrophobicContact CG2-CD2 4.17Å; L315-L338 HydrophobicContact CB-CD2 3.87Å; L315-L338 HydrophobicContact CD1-CD1 4.16Å; L316-L338 HydrophobicContact CD2-CD2 3.73Å; L316-L338 HydrophobicContact CG-CD2 3.76Å; I334-L338 WeakPolarHBondContact O-CB 3.34Å; I334-L338 PolarHBondContact O-N 3.29Å; E335-L338 PolarHBondContact O-N 3.48Å; L338-K340 PolarHBondContact O-N 2.94Å; L338-I341 PolarHBondContact O-N 3.48Å; L338-I342 HydrophobicContact CD1-CD1 3.96Å; L338-I342 HydrophobicContact CD1-CG1 4.45Å; L338-I342 HydrophobicContact CG-CD1 3.97Å; L338-I342 WeakPolarHBondContact O-CG1 3.41Å; L338-I342 PolarHBondContact O-N 3.37Å; L338-F361 HydrophobicContact CD1-CE1 3.55Å; L338-F361 HydrophobicContact CD1-CZ 3.54Å; L338-V365 HydrophobicContact CD1-CG2 4.32Å
339	L	96.4	Very high	96	Very high	53 Å²	53	49 Å²	49	28%	0.277	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-31.1	-179.7	-67.3	-179.7	0	0	0	112.3	L137 E335 T336 K343	L137-L339 HydrophobicContact CD1-CD2 4.46Å; L137-L339 HydrophobicContact CD2-CD2 3.84Å; E335-L339 HydrophobicContact CG-CD1 3.79Å; E335-L339 HydrophobicContact CG-CG 4.08Å; E335-L339 WeakPolarHBondContact O-CB 3.23Å; E335-L339 WeakPolarHBondContact O-CG 3.4Å; E335-L339 PolarHBondContact O-N 3.43Å; T336-L339 PolarHBondContact O-N 3.48Å; L339-K343 WeakPolarHBondContact O-CB 3.32Å; L339-K343 PolarHBondContact O-N 2.74Å
340	K	96.1	Very high	95.9	Very high	98 Å²	98	49 Å²	49	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-67	-44.4	175.3	-175.2	174.1	170.2	-162.7	0	111.6	T336 A337 L338 K343 S344 Q368	T336-K340 VanDerWaalsContact O-CB 3.29Å; T336-K340 WeakPolarHBondContact O-CB 3.3Å; T336-K340 PolarHBondContact O-N 3.16Å; A337-K340 PolarHBondContact O-N 2.67Å; L338-K340 PolarHBondContact O-N 2.94Å; K340-K343 PolarHBondContact O-N 3.48Å; K340-S344 WeakPolarHBondContact O-CB 3.4Å; K340-S344 PolarHBondContact O-N 2.79Å; K340-S344 PolarHBondContact O-OG 2.82Å; K340-Q368 VanDerWaalsContact CD-OE1 3.28Å; K340-Q368 VanDerWaalsContact CE-OE1 3.24Å
341	I	96	Very high	95.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-44.4	175.9	-64.7	-51.3	0	0	0	111.5	A337 L338 S344 K345 K346 A347 F361 A364 V365 Q368	A337-I341 PolarHBondContact O-N 3.42Å; A337-I341 VanDerWaalsContact O-N 3.14Å; L338-I341 PolarHBondContact O-N 3.48Å; I341-S344 PolarHBondContact O-N 2.86Å; I341-S344 PolarHBondContact O-OG 3.24Å; I341-K345 PolarHBondContact O-N 2.96Å; I341-K345 VanDerWaalsContact O-N 3.14Å; I341-K346 HydrophobicContact CD1-CD 4.36Å; I341-K346 PolarHBondContact O-N 3.32Å; I341-A347 HydrophobicContact CG2-CB 4.44Å; I341-F361 HydrophobicContact CG2-CE2 4.45Å; I341-A364 HydrophobicContact CD1-CB 3.99Å; I341-A364 WeakPolarHBondContact CD1-O 3.23Å; I341-A364 HydrophobicContact CG1-CB 4.31Å; I341-A364 HydrophobicContact CG2-CB 4.27Å; I341-V365 HydrophobicContact CG1-CG2 4.09Å; I341-Q368 HydrophobicContact CD1-CG 4.05Å; I341-Q368 HydrophobicContact CG1-CG 4.22Å
342	I	96.2	Very high	95.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-49.5	177.4	-66.5	170.4	0	0	0	110.5	L137 I140 T312 L338 S344 K345 F361	L137-I342 HydrophobicContact CB-CG2 4.47Å; L137-I342 HydrophobicContact CD1-CD1 4.08Å; I140-I342 HydrophobicContact CD1-CG2 3.93Å; I140-I342 HydrophobicContact CG1-CG2 3.47Å; I140-I342 VanDerWaalsContact CG1-CG2 3.47Å; T312-I342 HydrophobicContact CG2-CD1 3.69Å; L338-I342 HydrophobicContact CD1-CD1 3.96Å; L338-I342 HydrophobicContact CD1-CG1 4.45Å; L338-I342 HydrophobicContact CG-CD1 3.97Å; L338-I342 WeakPolarHBondContact O-CG1 3.41Å; L338-I342 PolarHBondContact O-N 3.37Å; I342-S344 VanDerWaalsContact C-N 3.35Å; I342-S344 PolarHBondContact O-N 3.45Å; I342-K345 PolarHBondContact O-N 3.14Å; I342-F361 HydrophobicContact CG1-CZ 4.28Å
343	K	95.6	Very high	95.3	Very high	144 Å²	144	51.3 Å²	51.3	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-62.3	-39.6	-179.2	-176.2	-176.2	176.5	-170.9	0	112.7	K138 L339 K340 K345	K138-K343 VanDerWaalsContact O-CA 3.26Å; K138-K343 WeakPolarHBondContact O-CA 3.29Å; K138-K343 PolarHBondContact O-N 2.91Å; L339-K343 WeakPolarHBondContact O-CB 3.32Å; L339-K343 PolarHBondContact O-N 2.74Å; K340-K343 PolarHBondContact O-N 3.48Å; K343-K345 VanDerWaalsContact C-N 3.28Å
344	S	94.6	Very high	95.2	Very high	71 Å²	71	47.7 Å²	47.7	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-80.9	-8	-179.1	74	0	0	0	0	113.6	K340 I341 I342 K346	K340-S344 WeakPolarHBondContact O-CB 3.4Å; K340-S344 PolarHBondContact O-N 2.79Å; K340-S344 PolarHBondContact O-OG 2.82Å; I341-S344 PolarHBondContact O-N 2.86Å; I341-S344 PolarHBondContact O-OG 3.24Å; I342-S344 VanDerWaalsContact C-N 3.35Å; I342-S344 PolarHBondContact O-N 3.45Å; S344-K346 PolarHBondContact O-N 3.34Å; S344-K346 WeakPolarHBondContact OG-CB 3.45Å
345	K	93.2	Very high	95.1	Very high	133 Å²	133	53.1 Å²	53.1	58%	0.578	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	29.6	-175.1	-51.9	-172.1	173.8	-175.3	0	113.8	G139 I341 I342 K343 L348	G139-K345 WeakPolarHBondContact O-CE 3.26Å; I341-K345 PolarHBondContact O-N 2.96Å; I341-K345 VanDerWaalsContact O-N 3.14Å; I342-K345 PolarHBondContact O-N 3.14Å; K343-K345 VanDerWaalsContact C-N 3.28Å; K345-L348 HydrophobicContact CB-CD1 3.89Å; K345-L348 HydrophobicContact CB-CG 4.34Å; K345-L348 HydrophobicContact CG-CD1 3.97Å
346	K	89.4	Confident	95.1	Very high	123 Å²	123	53.3 Å²	53.3	54%	0.535	31%	0.311	S	S	.	.	S	Bend	trans	-70.9	-47.5	-171.9	-176.7	-176	178.7	-170.9	0	111.9	I341 S344 E367	I341-K346 HydrophobicContact CD1-CD 4.36Å; I341-K346 PolarHBondContact O-N 3.32Å; S344-K346 PolarHBondContact O-N 3.34Å; S344-K346 WeakPolarHBondContact OG-CB 3.45Å; K346-E367 IonicContact NZ-OE2 3.2Å; K346-E367 PolarHBondContact NZ-OE2 3.35Å
347	A	93.6	Very high	95.1	Very high	7 Å²	7	50.2 Å²	50.2	6%	0.058	29%	0.293	C	S	.	.	S	Bend	trans	-141.7	94.2	179.2	0	0	0	0	0	107.6	I341 S356 F361 A364	I341-A347 HydrophobicContact CG2-CB 4.44Å; A347-S356 VanDerWaalsContact CA-OG 3.28Å; A347-S356 WeakPolarHBondContact CA-OG 3.35Å; A347-F361 WeakPolarHBondContact O-CD2 3.31Å; A347-F361 WeakPolarHBondContact O-CE2 3.48Å; A347-A364 HydrophobicContact CB-CB 3.62Å
348	L	96.1	Very high	95.1	Very high	9 Å²	9	50 Å²	50	5%	0.047	29%	0.291	C	S	.	.			trans	-111.3	140.2	-179.6	-62.1	-170.7	0	0	0	109	K345 I352 G354 S355 S356	K345-L348 HydrophobicContact CB-CD1 3.89Å; K345-L348 HydrophobicContact CB-CG 4.34Å; K345-L348 HydrophobicContact CG-CD1 3.97Å; L348-I352 HydrophobicContact CB-CD1 4.22Å; L348-I352 HydrophobicContact CB-CG1 4.17Å; L348-I352 HydrophobicContact CD2-CD1 3.9Å; L348-I352 HydrophobicContact CG-CD1 4.48Å; L348-G354 CarbonylContact O-C 3.56Å; L348-G354 VanDerWaalsContact O-CA 3.26Å; L348-G354 WeakPolarHBondContact O-CA 3.33Å; L348-S355 PolarHBondContact O-N 3.3Å; L348-S356 PolarHBondContact N-OG 3.2Å; L348-S356 VanDerWaalsContact O-CB 3.31Å; L348-S356 WeakPolarHBondContact O-CB 3.37Å; L348-S356 PolarHBondContact O-N 3.35Å
349	T	96	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.309	C	S	.	.			trans	-73.7	164	170.4	49.2	0	0	0	0	110.9	N310 D351 I352 G353 G354 F361	N310-T349 HydrophobicContact CB-CG2 4.43Å; N310-T349 WeakPolarHBondContact CB-OG1 3.19Å; N310-T349 VanDerWaalsContact CG-OG1 3.24Å; N310-T349 PolarHBondContact ND2-OG1 3.01Å; T349-D351 VanDerWaalsContact C-N 3.33Å; T349-D351 WeakPolarHBondContact CB-OD1 3.43Å; T349-D351 PolarHBondContact O-N 2.77Å; T349-D351 PolarHBondContact OG1-OD1 3.39Å; T349-I352 WeakPolarHBondContact O-CG1 3.39Å; T349-I352 PolarHBondContact O-N 3.19Å; T349-G353 PolarHBondContact O-N 2.99Å; T349-G354 PolarHBondContact O-N 3.15Å; T349-F361 HydrophobicContact CG2-CB 4.3Å; T349-F361 HydrophobicContact CG2-CD2 4.23Å; T349-F361 HydrophobicContact CG2-CG 4.5Å
350	S	94.9	Very high	95.2	Very high	74 Å²	74	55 Å²	55	52%	0.517	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-64.2	-33.4	-172.5	54.2	0	0	0	0	114.3	I352 G353 G354	S350-I352 PolarHBondContact O-N 3.11Å; S350-G353 PolarHBondContact O-N 3.32Å; S350-G354 WeakPolarHBondContact CA-O 3.23Å
351	D	93.6	Very high	95.3	Very high	72 Å²	72	50.3 Å²	50.3	39%	0.385	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25.3	178.8	64.3	-50.2	0	0	0	113.5	N310 T349	N310-D351 WeakPolarHBondContact CB-OD1 3.49Å; N310-D351 VanDerWaalsContact CB-OD2 3.26Å; N310-D351 WeakPolarHBondContact CB-OD2 3.27Å; N310-D351 PolarHBondContact ND2-OD1 3.06Å; N310-D351 PolarHBondContact ND2-OD2 3.08Å; T349-D351 VanDerWaalsContact C-N 3.33Å; T349-D351 WeakPolarHBondContact CB-OD1 3.43Å; T349-D351 PolarHBondContact O-N 2.77Å; T349-D351 PolarHBondContact OG1-OD1 3.39Å
352	I	94.2	Very high	95.3	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-112	19.5	179.1	58.6	168.6	0	0	0	112.7	I140 V279 L348 T349 S350 F361	I140-I352 HydrophobicContact CD1-CB 4.37Å; I140-I352 HydrophobicContact CD1-CD1 4.4Å; I140-I352 HydrophobicContact CD1-CG2 3.98Å; I140-I352 HydrophobicContact CG2-CB 4.32Å; I140-I352 HydrophobicContact CG2-CG2 4.18Å; V279-I352 HydrophobicContact CG1-CG2 3.79Å; L348-I352 HydrophobicContact CB-CD1 4.22Å; L348-I352 HydrophobicContact CB-CG1 4.17Å; L348-I352 HydrophobicContact CD2-CD1 3.9Å; L348-I352 HydrophobicContact CG-CD1 4.48Å; T349-I352 WeakPolarHBondContact O-CG1 3.39Å; T349-I352 PolarHBondContact O-N 3.19Å; S350-I352 PolarHBondContact O-N 3.11Å; I352-F361 HydrophobicContact CD1-CE2 4.41Å
353	G	92.5	Very high	95.4	Very high	68 Å²	68	55.5 Å²	55.5	70%	0.701	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	17.8	170.4	0	0	0	0	0	116	T349 S350	T349-G353 PolarHBondContact O-N 2.99Å; S350-G353 PolarHBondContact O-N 3.32Å
354	G	94.8	Very high	95.5	Very high	29 Å²	29	48.9 Å²	48.9	30%	0.299	29%	0.294	S	S	.	.			trans	-108.8	-160.8	173.1	0	0	0	0	0	114.6	L348 T349 S350	L348-G354 CarbonylContact O-C 3.56Å; L348-G354 VanDerWaalsContact O-CA 3.26Å; L348-G354 WeakPolarHBondContact O-CA 3.33Å; T349-G354 PolarHBondContact O-N 3.15Å; S350-G354 WeakPolarHBondContact CA-O 3.23Å
355	S	96	Very high	95.6	Very high	114 Å²	114	45.5 Å²	45.5	80%	0.797	27%	0.271	S	S	*	.			trans	-141	6.9	-179.9	57.4	0	0	0	0	113.3	L348	L348-S355 PolarHBondContact O-N 3.3Å
356	S	97.2	Very high	95.7	Very high	22 Å²	22	40.8 Å²	40.8	15%	0.154	25%	0.252	C	S	.	.			trans	-77.1	148	-179.1	-57.7	0	0	0	0	111.9	A347 L348 Q360	A347-S356 VanDerWaalsContact CA-OG 3.28Å; A347-S356 WeakPolarHBondContact CA-OG 3.35Å; L348-S356 PolarHBondContact N-OG 3.2Å; L348-S356 VanDerWaalsContact O-CB 3.31Å; L348-S356 WeakPolarHBondContact O-CB 3.37Å; L348-S356 PolarHBondContact O-N 3.35Å; S356-Q360 VanDerWaalsContact CA-OE1 3.31Å
357	S	97.4	Very high	96	Very high	26 Å²	26	39.4 Å²	39.4	18%	0.182	25%	0.247	C	C	.	.			trans	-72.2	166.2	169.7	68.9	0	0	0	0	112.2	N307 T359 Q360 F361	N307-S357 CarbonylContact O-C 3.49Å; N307-S357 WeakPolarHBondContact O-CA 3.29Å; N307-S357 WeakPolarHBondContact O-CB 3.34Å; S357-T359 PolarHBondContact O-N 3.37Å; S357-Q360 PolarHBondContact O-N 3.34Å; S357-Q360 WeakPolarHBondContact OG-CB 3.28Å; S357-Q360 WeakPolarHBondContact OG-CG 3.24Å; S357-Q360 PolarHBondContact OG-N 3.06Å; S357-F361 WeakPolarHBondContact O-CB 3.27Å; S357-F361 PolarHBondContact O-N 3.08Å
358	T	97.2	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-53.8	-44	170.9	-43	0	0	0	0	110.3	E52 L53 C56 N307 M308 A309 F361 T362	E52-T358 WeakPolarHBondContact OE1-CB 3.37Å; E52-T358 PolarHBondContact OE1-OG1 3.23Å; L53-T358 HydrophobicContact CD2-CG2 3.82Å; C56-T358 VanDerWaalsContact SG-CG2 3.5Å; N307-T358 PolarHBondContact O-N 3.22Å; N307-T358 WeakPolarHBondContact OD1-CA 3.21Å; N307-T358 WeakPolarHBondContact OD1-CB 3.43Å; N307-T358 PolarHBondContact OD1-N 3.01Å; N307-T358 PolarHBondContact OD1-OG1 3.38Å; M308-T358 PolarHBondContact N-OG1 3.18Å; M308-T358 VanDerWaalsContact N-OG1 3.13Å; A309-T358 PolarHBondContact N-OG1 3.16Å; A309-T358 WeakPolarHBondContact O-CG2 3.21Å; A309-T358 PolarHBondContact O-OG1 3.49Å; A309-T358 VanDerWaalsContact O-OG1 3.09Å; T358-F361 PolarHBondContact O-N 2.91Å; T358-T362 WeakPolarHBondContact O-CB 3.23Å; T358-T362 PolarHBondContact O-N 3.47Å; T358-T362 PolarHBondContact O-OG1 2.96Å
359	T	97.4	Very high	95.6	Very high	61 Å²	61	40.2 Å²	40.2	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-51.2	178.2	-51.3	0	0	0	0	111.8	N307 S357 F361 T362 E363	N307-T359 PolarHBondContact ND2-OG1 3.15Å; N307-T359 PolarHBondContact OD1-N 2.76Å; N307-T359 PolarHBondContact OD1-OG1 3.45Å; S357-T359 PolarHBondContact O-N 3.37Å; T359-F361 VanDerWaalsContact C-N 3.31Å; T359-F361 PolarHBondContact O-N 3.44Å; T359-T362 CarbonylContact O-C 3.59Å; T359-T362 WeakPolarHBondContact O-CA 3.27Å; T359-T362 WeakPolarHBondContact O-CB 3.26Å; T359-T362 PolarHBondContact O-N 3.46Å; T359-E363 HydrophobicContact CG2-CG 4.38Å; T359-E363 WeakPolarHBondContact CG2-OE1 3.04Å; T359-E363 WeakPolarHBondContact O-CG 3.3Å; T359-E363 PolarHBondContact O-N 3.49Å
360	Q	97.7	Very high	94.9	Very high	97 Å²	97	46.7 Å²	46.7	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-39.5	-179.7	-75.4	172.2	-29.9	0	0	112	S356 S357 T362 A364	S356-Q360 VanDerWaalsContact CA-OE1 3.31Å; S357-Q360 PolarHBondContact O-N 3.34Å; S357-Q360 WeakPolarHBondContact OG-CB 3.28Å; S357-Q360 WeakPolarHBondContact OG-CG 3.24Å; S357-Q360 PolarHBondContact OG-N 3.06Å; Q360-T362 VanDerWaalsContact C-N 3.33Å; Q360-A364 WeakPolarHBondContact O-CB 3.14Å; Q360-A364 PolarHBondContact O-N 2.86Å; Q360-A364 VanDerWaalsContact O-N 3.09Å
361	F	97.6	Very high	94	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-46.7	172.9	-173.6	-75.9	0	0	0	110.7	P311 T312 L315 L338 I341 I342 A347 T349 I352 S357 T358 T359 A364 V365	P311-F361 HydrophobicContact CG-CD1 3.37Å; P311-F361 HydrophobicContact CG-CE1 3.73Å; P311-F361 HydrophobicContact CG-CG 4.12Å; T312-F361 WeakPolarHBondContact OG1-CZ 3.18Å; L315-F361 HydrophobicContact CD1-CE1 4.49Å; L338-F361 HydrophobicContact CD1-CE1 3.55Å; L338-F361 HydrophobicContact CD1-CZ 3.54Å; I341-F361 HydrophobicContact CG2-CE2 4.45Å; I342-F361 HydrophobicContact CG1-CZ 4.28Å; A347-F361 WeakPolarHBondContact O-CD2 3.31Å; A347-F361 WeakPolarHBondContact O-CE2 3.48Å; T349-F361 HydrophobicContact CG2-CB 4.3Å; T349-F361 HydrophobicContact CG2-CD2 4.23Å; T349-F361 HydrophobicContact CG2-CG 4.5Å; I352-F361 HydrophobicContact CD1-CE2 4.41Å; S357-F361 WeakPolarHBondContact O-CB 3.27Å; S357-F361 PolarHBondContact O-N 3.08Å; T358-F361 PolarHBondContact O-N 2.91Å; T359-F361 VanDerWaalsContact C-N 3.31Å; T359-F361 PolarHBondContact O-N 3.44Å; F361-A364 PolarHBondContact O-N 3.31Å; F361-V365 HydrophobicContact CD1-CG2 4.14Å; F361-V365 HydrophobicContact CE1-CG2 3.83Å; F361-V365 WeakPolarHBondContact O-CG2 3.45Å; F361-V365 PolarHBondContact O-N 3Å
362	T	97.2	Very high	92.1	Very high	8 Å²	8	51 Å²	51	5%	0.049	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-48.4	-179.5	-56.1	0	0	0	0	111	C56 V60 T358 T359 Q360 A364 V365 L366	C56-T362 HydrophobicContact CB-CG2 3.95Å; C56-T362 WeakPolarHBondContact CB-OG1 3.38Å; C56-T362 PolarHBondContact SG-OG1 3.01Å; V60-T362 HydrophobicContact CG2-CG2 4.35Å; T358-T362 WeakPolarHBondContact O-CB 3.23Å; T358-T362 PolarHBondContact O-N 3.47Å; T358-T362 PolarHBondContact O-OG1 2.96Å; T359-T362 CarbonylContact O-C 3.59Å; T359-T362 WeakPolarHBondContact O-CA 3.27Å; T359-T362 WeakPolarHBondContact O-CB 3.26Å; T359-T362 PolarHBondContact O-N 3.46Å; Q360-T362 VanDerWaalsContact C-N 3.33Å; T362-A364 VanDerWaalsContact C-N 3.31Å; T362-A364 PolarHBondContact O-N 3.42Å; T362-V365 WeakPolarHBondContact O-CA 3.48Å; T362-V365 WeakPolarHBondContact O-CB 3.47Å; T362-V365 PolarHBondContact O-N 3.29Å; T362-L366 HydrophobicContact CG2-CD1 4.24Å; T362-L366 HydrophobicContact CG2-CG 4.3Å; T362-L366 WeakPolarHBondContact O-CG 3.33Å; T362-L366 PolarHBondContact O-N 3.3Å
363	E	97.3	Very high	92	Very high	102 Å²	102	53.3 Å²	53.3	48%	0.477	32%	0.322	S	S	.	.	H	α-helix	trans	-54.5	-45.6	176.4	-73.3	169.6	175.5	0	0	111.7	T359 V365 L366 E367	T359-E363 HydrophobicContact CG2-CG 4.38Å; T359-E363 WeakPolarHBondContact CG2-OE1 3.04Å; T359-E363 WeakPolarHBondContact O-CG 3.3Å; T359-E363 PolarHBondContact O-N 3.49Å; E363-V365 VanDerWaalsContact C-N 3.26Å; E363-V365 PolarHBondContact O-N 3Å; E363-L366 PolarHBondContact O-N 3.16Å; E363-L366 VanDerWaalsContact O-N 3.11Å; E363-E367 WeakPolarHBondContact O-CG 3.46Å; E363-E367 PolarHBondContact O-N 3.12Å
364	A	96.9	Very high	92	Very high	6 Å²	6	52.5 Å²	52.5	5%	0.05	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-34.4	177	0	0	0	0	0	112.9	I341 A347 Q360 F361 T362	I341-A364 HydrophobicContact CD1-CB 3.99Å; I341-A364 WeakPolarHBondContact CD1-O 3.23Å; I341-A364 HydrophobicContact CG1-CB 4.31Å; I341-A364 HydrophobicContact CG2-CB 4.27Å; A347-A364 HydrophobicContact CB-CB 3.62Å; Q360-A364 WeakPolarHBondContact O-CB 3.14Å; Q360-A364 PolarHBondContact O-N 2.86Å; Q360-A364 VanDerWaalsContact O-N 3.09Å; F361-A364 PolarHBondContact O-N 3.31Å; T362-A364 VanDerWaalsContact C-N 3.31Å; T362-A364 PolarHBondContact O-N 3.42Å
365	V	96.8	Very high	91.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-71.3	-42.9	173.6	175.2	0	0	0	0	111.2	V60 A337 L338 I341 F361 T362 E363 E367 Q368	V60-V365 HydrophobicContact CG2-CG1 4.19Å; A337-V365 HydrophobicContact CB-CG1 4.32Å; L338-V365 HydrophobicContact CD1-CG2 4.32Å; I341-V365 HydrophobicContact CG1-CG2 4.09Å; F361-V365 HydrophobicContact CD1-CG2 4.14Å; F361-V365 HydrophobicContact CE1-CG2 3.83Å; F361-V365 WeakPolarHBondContact O-CG2 3.45Å; F361-V365 PolarHBondContact O-N 3Å; T362-V365 WeakPolarHBondContact O-CA 3.48Å; T362-V365 WeakPolarHBondContact O-CB 3.47Å; T362-V365 PolarHBondContact O-N 3.29Å; E363-V365 VanDerWaalsContact C-N 3.26Å; E363-V365 PolarHBondContact O-N 3Å; V365-E367 VanDerWaalsContact C-N 3.33Å; V365-E367 PolarHBondContact O-N 2.87Å; V365-Q368 WeakPolarHBondContact O-CB 3.48Å; V365-Q368 PolarHBondContact O-N 2.75Å; V365-Q368 VanDerWaalsContact O-N 3.1Å
366	L	96.9	Very high	91.6	Very high	34 Å²	34	50.2 Å²	50.2	18%	0.178	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-42	177.8	-62.8	177.4	0	0	0	111.6	V60 E63 T362 E363 Q368 A369	V60-L366 HydrophobicContact CB-CD2 4.3Å; V60-L366 HydrophobicContact CG2-CD2 3.82Å; E63-L366 HydrophobicContact CB-CD2 3.61Å; E63-L366 HydrophobicContact CG-CB 4.27Å; E63-L366 HydrophobicContact CG-CD2 4.04Å; T362-L366 HydrophobicContact CG2-CD1 4.24Å; T362-L366 HydrophobicContact CG2-CG 4.3Å; T362-L366 WeakPolarHBondContact O-CG 3.33Å; T362-L366 PolarHBondContact O-N 3.3Å; E363-L366 PolarHBondContact O-N 3.16Å; E363-L366 VanDerWaalsContact O-N 3.11Å; L366-Q368 PolarHBondContact O-N 2.62Å; L366-A369 VanDerWaalsContact O-CB 3.22Å; L366-A369 WeakPolarHBondContact O-CB 3.23Å; L366-A369 PolarHBondContact O-N 3.34Å
367	E	95.7	Very high	91.3	Very high	93 Å²	93	52 Å²	52	44%	0.435	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-55.2	-27.6	175.6	-73.8	175.7	176.3	0	0	113.3	K346 E363 V365 A369 I371	K346-E367 IonicContact NZ-OE2 3.2Å; K346-E367 PolarHBondContact NZ-OE2 3.35Å; E363-E367 WeakPolarHBondContact O-CG 3.46Å; E363-E367 PolarHBondContact O-N 3.12Å; V365-E367 VanDerWaalsContact C-N 3.33Å; V365-E367 PolarHBondContact O-N 2.87Å; E367-A369 VanDerWaalsContact C-N 3.27Å; E367-A369 PolarHBondContact O-N 3.25Å; E367-I371 WeakPolarHBondContact O-CD1 3.28Å
368	Q	93.7	Very high	90.9	Very high	15 Å²	15	53.7 Å²	53.7	7%	0.07	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-71.1	-21.9	178.2	-60.7	-50.9	-62.1	0	0	113.2	A337 K340 I341 V365 L366 H370 I371	A337-Q368 HydrophobicContact CB-CB 3.55Å; A337-Q368 HydrophobicContact CB-CG 4.02Å; K340-Q368 VanDerWaalsContact CD-OE1 3.28Å; K340-Q368 VanDerWaalsContact CE-OE1 3.24Å; I341-Q368 HydrophobicContact CD1-CG 4.05Å; I341-Q368 HydrophobicContact CG1-CG 4.22Å; V365-Q368 WeakPolarHBondContact O-CB 3.48Å; V365-Q368 PolarHBondContact O-N 2.75Å; V365-Q368 VanDerWaalsContact O-N 3.1Å; L366-Q368 PolarHBondContact O-N 2.62Å; Q368-H370 PolarHBondContact O-N 3.04Å; Q368-I371 PolarHBondContact O-N 2.71Å
369	A	87.5	Confident	90.4	Very high	19 Å²	19	57.6 Å²	57.6	16%	0.157	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61	-26.6	179.1	0	0	0	0	0	112.6	E63 F64 L366 E367	E63-A369 HydrophobicContact CG-CB 3.91Å; F64-A369 HydrophobicContact CD1-CB 4.36Å; F64-A369 HydrophobicContact CD2-CB 3.95Å; F64-A369 HydrophobicContact CE1-CB 4.11Å; F64-A369 HydrophobicContact CE2-CB 3.69Å; F64-A369 HydrophobicContact CG-CB 4.29Å; F64-A369 HydrophobicContact CZ-CB 3.77Å; L366-A369 VanDerWaalsContact O-CB 3.22Å; L366-A369 WeakPolarHBondContact O-CB 3.23Å; L366-A369 PolarHBondContact O-N 3.34Å; E367-A369 VanDerWaalsContact C-N 3.27Å; E367-A369 PolarHBondContact O-N 3.25Å
370	H	81.6	Confident	89.9	Confident	136 Å²	136	57.3 Å²	57.3	63%	0.63	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-94.9	-6.3	-178	-52.5	-59	0	0	0	114.1	E63 Q368	E63-H370 IonicContact OE1-CE1 3.01Å; E63-H370 PolarHBondContact OE1-CE1 2.79Å; E63-H370 IonicContact OE1-NE2 3.3Å; E63-H370 PolarHBondContact OE1-NE2 3.06Å; Q368-H370 PolarHBondContact O-N 3.04Å
371	I	75	Confident	89.2	Confident	109 Å²	109	54 Å²	54	56%	0.559	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-16.5	-173.6	-61.4	170.2	0	0	0	111.6	E367 Q368	E367-I371 WeakPolarHBondContact O-CD1 3.28Å; Q368-I371 PolarHBondContact O-N 2.71Å
372	S	54.6	Low	88.5	Confident	126 Å²	126	58.9 Å²	58.9	88%	0.881	32%	0.317	S	S	*	.			trans	-103.5	0	-179.5	59.6	0	0	0	0	112.6

Retrieved 372 of 372 residues in 316 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).