A0A096N9X7_PAPAN Loading...

Pyruvate dehydrogenase E1 component subunit alpha

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.

AlphaFold DB , UniProt , Accession A0A096N9X7, Species PAPAN (Papio anubis, Olive baboon), Gene PDHA2, Length 388 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48	Very low	40.6	Very low	240 Å²	240	160.9 Å²	160.9	100%	1.182	82%	0.821	S	S	*	*				0	68.9	0	-85.1	-174.4	-178	0	0	110.4
2	L	40.3	Very low	40	Very low	171 Å²	171	166.8 Å²	166.8	90%	0.895	83%	0.825	S	S	*	*			trans	-165.2	40.3	171	-123.1	129.4	0	0	0	112.5
3	T	39.7	Very low	39.6	Very low	148 Å²	148	163.8 Å²	163.8	91%	0.908	82%	0.822	S	S	*	*	S	Bend	trans	-140.5	23.5	178.8	40.5	0	0	0	0	112.8
4	A	43.6	Very low	39.3	Very low	90 Å²	90	158.7 Å²	158.7	74%	0.744	82%	0.818	S	S	*	*	S	Bend	trans	-122.2	6.1	-177.9	0	0	0	0	0	115
5	F	42.8	Very low	38.9	Very low	196 Å²	196	159.6 Å²	159.6	86%	0.86	82%	0.817	S	S	*	*	S	Bend	trans	-114.9	-2.4	-173.3	-121.4	-94.5	0	0	0	116.3
6	I	42.4	Very low	38.7	Very low	148 Å²	148	162.6 Å²	162.6	76%	0.759	82%	0.822	S	S	*	*	S	Bend	trans	-101.9	-4.6	-178.9	-62.7	178.4	0	0	0	112.9
7	S	41.3	Very low	38.5	Very low	88 Å²	88	160.4 Å²	160.4	62%	0.615	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-10.2	-177.3	-175.8	0	0	0	0	114.9
8	R	38.1	Very low	38.6	Very low	226 Å²	226	156.7 Å²	156.7	85%	0.853	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-8.8	-176.1	-84.7	-177.9	174.7	-178.8	-1.1	116
9	V	41.1	Very low	38.4	Very low	116 Å²	116	161.4 Å²	161.4	70%	0.703	83%	0.828	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-25.1	-179.8	-179.7	0	0	0	0	112.6
10	L	35.3	Very low	38.2	Very low	140 Å²	140	165.4 Å²	165.4	73%	0.733	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-5.4	179.6	-77.6	161.4	0	0	0	115.1
11	R	33.7	Very low	38.1	Very low	207 Å²	207	164 Å²	164	78%	0.781	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-1.3	174.4	-84.8	-175.5	179.3	-169.4	1	115
12	R	33.4	Very low	37.9	Very low	231 Å²	231	160.7 Å²	160.7	87%	0.872	82%	0.818	S	S	*	*	S	Bend	trans	-105.3	-2	179.9	-100.9	-177.9	175.9	-172.1	-1	115.5
13	V	35.4	Very low	38.1	Very low	129 Å²	129	158.9 Å²	158.9	78%	0.782	81%	0.814	S	S	*	*	S	Bend	trans	-106	-15	178.8	-177.7	0	0	0	0	112.7	Q15	V13-Q15 PolarHBondContact O-N 3.4Å
14	A	35	Very low	38.1	Very low	92 Å²	92	156.5 Å²	156.5	76%	0.76	81%	0.809	S	S	*	*	S	Bend	trans	-95.1	21.5	-179.3	0	0	0	0	0	114.8
15	Q	33.9	Very low	38.5	Very low	172 Å²	172	157 Å²	157	80%	0.804	81%	0.807	S	S	*	*	S	Bend	trans	-135.8	34	-174.2	-122.7	-179.9	-4.2	0	0	114.3	V13	V13-Q15 PolarHBondContact O-N 3.4Å
16	K	34.6	Very low	38.9	Very low	207 Å²	207	159 Å²	159	90%	0.9	81%	0.809	S	S	*	*	S	Bend	trans	-142.6	74.8	166.4	-83.3	-172.4	175.1	179.5	0	110.9
17	S	36.2	Very low	39.6	Very low	126 Å²	126	158.4 Å²	158.4	88%	0.881	81%	0.807	S	S	*	*	S	Bend	trans	-156.2	19.9	159.5	-168.8	0	0	0	0	113.8
18	A	39.8	Very low	40.6	Very low	93 Å²	93	157 Å²	157	77%	0.769	80%	0.797	S	S	*	*	S	Bend	trans	-140.9	81.7	179	0	0	0	0	0	110.3
19	R	35.8	Very low	42.7	Very low	246 Å²	246	148.5 Å²	148.5	93%	0.928	77%	0.772	S	S	*	*			trans	168.4	141.8	144.2	-97.8	169.4	170.6	-173.4	-3.3	112
20	R	34.5	Very low	45.2	Very low	242 Å²	242	149.2 Å²	149.2	91%	0.913	77%	0.772	S	S	*	*			trans	82.7	105.6	-172.4	-62.8	179.5	169.1	-177.7	-4.4	111.3
21	V	35.3	Very low	48.1	Very low	136 Å²	136	146.5 Å²	146.5	82%	0.824	76%	0.759	S	S	*	*			cis	-131.6	116.1	47.4	179.1	0	0	0	0	111.1
22	L	42.8	Very low	51.2	Low	171 Å²	171	137.5 Å²	137.5	90%	0.895	73%	0.728	S	S	*	*			trans	-145	63.5	166.7	-121.9	167.8	0	0	0	106.5
23	V	45	Very low	54.3	Low	133 Å²	133	130.8 Å²	130.8	81%	0.806	71%	0.713	S	S	*	*			trans	-154	87.2	157.6	-172.8	0	0	0	0	108.1
24	A	40.3	Very low	57.3	Low	98 Å²	98	125.8 Å²	125.8	81%	0.81	68%	0.681	S	S	*	*			trans	-145.7	42.1	149.7	0	0	0	0	0	109.1
25	S	52.9	Low	60.3	Low	99 Å²	99	129.3 Å²	129.3	69%	0.692	68%	0.681	S	S	*	*			trans	-97.7	100	160	78.7	0	0	0	0	107.1
26	R	49.8	Very low	63.4	Low	239 Å²	239	121.8 Å²	121.8	90%	0.902	65%	0.647	S	S	*	*	S	Bend	trans	-171.3	102	152.3	-100.6	151.7	-169.6	-152.2	1.9	108.4
27	N	58	Low	66.4	Low	136 Å²	136	117.4 Å²	117.4	73%	0.727	63%	0.63	S	S	*	*			trans	78.9	45.3	170.8	-63	-6.1	0	0	0	118.8
28	S	62.4	Low	69.4	Low	58 Å²	58	118.8 Å²	118.8	41%	0.406	62%	0.62	S	S	.	*			trans	-87.6	131.3	153.8	51.7	0	0	0	0	110.2	K326	S28-K326 CarbonylContact C-O 3.59Å; S28-K326 VanDerWaalsContact CA-O 3.25Å; S28-K326 WeakPolarHBondContact CA-O 3.22Å
29	S	81.8	Confident	72.2	Confident	47 Å²	47	115 Å²	115	33%	0.329	59%	0.587	S	S	.	*			trans	-71.5	144	171.5	-55.9	0	0	0	0	109.2	D31 S325 K326 L327	S29-D31 VanDerWaalsContact C-N 3.33Å; S29-D31 WeakPolarHBondContact CB-O 3.41Å; S29-S325 PolarHBondContact OG-O 3.05Å; S29-K326 PolarHBondContact N-O 2.94Å; S29-L327 WeakPolarHBondContact O-CD2 3.44Å
30	N	92.6	Very high	75.2	Confident	132 Å²	132	107 Å²	107	71%	0.706	56%	0.563	S	S	*	*	S	Bend	trans	-73.2	-31.8	175.6	-74.6	-24.3	0	0	0	111.7	T55 R56	N30-T55 CarbonylContact O-C 3.51Å; N30-T55 WeakPolarHBondContact O-CA 3.14Å; N30-R56 PolarHBondContact O-N 3.26Å
31	D	97.4	Very high	78.3	Confident	83 Å²	83	97.9 Å²	97.9	44%	0.444	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	163.9	177.5	60.3	83.3	0	0	0	110.2	S29 V53 L54 T55	S29-D31 VanDerWaalsContact C-N 3.33Å; S29-D31 WeakPolarHBondContact CB-O 3.41Å; D31-V53 HydrophobicContact CB-CG1 3.76Å; D31-L54 VanDerWaalsContact CA-O 3.27Å; D31-L54 WeakPolarHBondContact CA-O 3.25Å; D31-T55 HydrophobicContact CB-CG2 4.21Å
32	A	97.9	Very high	81.3	Confident	17 Å²	17	93.1 Å²	93.1	14%	0.14	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.8	171.6	0	0	0	0	0	109.7	F34 V53 L54 L327	A32-F34 HydrophobicContact CB-CE2 3.76Å; A32-F34 HydrophobicContact CB-CZ 3.93Å; A32-V53 WeakPolarHBondContact O-CA 3.33Å; A32-L54 PolarHBondContact N-O 2.82Å; A32-L54 PolarHBondContact O-N 3.15Å; A32-L327 HydrophobicContact CB-CD1 4.01Å; A32-L327 HydrophobicContact CB-CD2 4.29Å; A32-L327 HydrophobicContact CB-CG 4.08Å
33	T	98.5	Very high	83.9	Confident	91 Å²	91	90.5 Å²	90.5	56%	0.558	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.4	174.5	-59.2	0	0	0	0	109.6	T52	T33-T52 WeakPolarHBondContact CA-O 3.39Å
34	F	98.5	Very high	86.5	Confident	24 Å²	24	85.8 Å²	85.8	11%	0.105	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.7	177.9	-63.2	-84.1	0	0	0	110.2	A32 T51 T52 L54 L258 R321 S325 L327	A32-F34 HydrophobicContact CB-CE2 3.76Å; A32-F34 HydrophobicContact CB-CZ 3.93Å; F34-T51 CarbonylContact O-C 3.58Å; F34-T51 VanDerWaalsContact O-CA 3.27Å; F34-T51 WeakPolarHBondContact O-CA 3.4Å; F34-T52 PolarHBondContact N-O 3.28Å; F34-T52 PolarHBondContact O-N 2.92Å; F34-L54 HydrophobicContact CD2-CB 3.96Å; F34-L54 HydrophobicContact CE2-CB 3.81Å; F34-L54 HydrophobicContact CE2-CD2 4.06Å; F34-L54 HydrophobicContact CE2-CG 4.5Å; F34-L258 HydrophobicContact CB-CD1 4.05Å; F34-L258 HydrophobicContact CD2-CD1 3.9Å; F34-L258 HydrophobicContact CG-CD1 4.07Å; F34-R321 HydrophobicContact CD1-CB 4.13Å; F34-R321 HydrophobicContact CD1-CG 3.85Å; F34-R321 HydrophobicContact CE1-CB 3.53Å; F34-R321 HydrophobicContact CE1-CG 3.75Å; F34-R321 HydrophobicContact CZ-CB 3.99Å; F34-S325 WeakPolarHBondContact CZ-OG 3.05Å; F34-L327 HydrophobicContact CE2-CD1 3.89Å; F34-L327 HydrophobicContact CZ-CD1 3.99Å
35	E	98.5	Very high	89.2	Confident	165 Å²	165	90.7 Å²	90.7	77%	0.771	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	139.6	162.7	-64.8	-179.1	178	0	0	109.1	V50 T51 R321	E35-V50 WeakPolarHBondContact CA-O 3.45Å; E35-T51 HydrophobicContact CG-CG2 4.29Å; E35-R321 PolarHBondContact O-NH2 2.85Å
36	I	98.6	Very high	91.4	Very high	14 Å²	14	93.6 Å²	93.6	7%	0.072	47%	0.466	C	S	.	.			trans	-128.7	151.1	178.4	51.8	170.4	0	0	0	109.4	K38 P49 V50 T52 L258 E262	I36-K38 PolarHBondContact O-N 3.49Å; I36-P49 VanDerWaalsContact CD1-O 3.29Å; I36-P49 WeakPolarHBondContact CD1-O 3.43Å; I36-V50 PolarHBondContact N-O 2.91Å; I36-T52 HydrophobicContact CD1-CG2 4.13Å; I36-T52 HydrophobicContact CG2-CG2 4.05Å; I36-L258 HydrophobicContact CG2-CB 3.77Å; I36-E262 HydrophobicContact CD1-CB 3.78Å; I36-E262 HydrophobicContact CD1-CG 3.64Å
37	E	98.2	Very high	93.7	Very high	116 Å²	116	83.4 Å²	83.4	54%	0.542	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-62.2	132.4	-174.7	-171.6	171.8	178	0	0	111	C39 C259	E37-C39 PolarHBondContact O-N 3.07Å; E37-C259 PolarHBondContact N-SG 3.48Å
38	K	98.6	Very high	95.6	Very high	154 Å²	154	77.7 Å²	77.7	67%	0.67	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-66	128.3	175.6	-175.9	-179.8	177.5	-179	0	109.2	I36 V50	I36-K38 PolarHBondContact O-N 3.49Å; K38-V50 HydrophobicContact CB-CG1 3.8Å; K38-V50 HydrophobicContact CG-CG1 3.99Å
39	C	98.8	Very high	97.4	Very high	13 Å²	13	78.1 Å²	78.1	9%	0.088	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-70.1	139.9	175.7	-60.9	0	0	0	0	111.5	E37 L41 L250 K251	E37-C39 PolarHBondContact O-N 3.07Å; C39-L41 HydrophobicContact CB-CD2 4.15Å; C39-L250 HydrophobicContact CB-CB 4.2Å; C39-L250 HydrophobicContact CB-CD1 4.39Å; C39-K251 WeakPolarHBondContact CA-O 3.27Å; C39-K251 WeakPolarHBondContact CB-O 3.38Å
40	D	98.8	Very high	98.2	Very high	79 Å²	79	79.2 Å²	79.2	42%	0.422	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	138.5	163.2	-69.5	-39.1	0	0	0	109	Y241 L250 K251	D40-Y241 HydrophobicContact CB-CE2 4.26Å; D40-L250 CarbonylContact O-C 3.53Å; D40-L250 VanDerWaalsContact O-CA 3.24Å; D40-L250 WeakPolarHBondContact O-CA 3.32Å; D40-K251 HydrophobicContact CB-CB 4.11Å; D40-K251 PolarHBondContact N-O 2.67Å; D40-K251 PolarHBondContact O-N 3.37Å; D40-K251 WeakPolarHBondContact OD2-CE 3.36Å; D40-K251 IonicContact OD2-NZ 2.63Å; D40-K251 PolarHBondContact OD2-NZ 2.76Å
41	L	98.9	Very high	98.4	Very high	51 Å²	51	76.2 Å²	76.2	27%	0.267	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.8	-170.6	-56.3	-177.2	0	0	0	112	C39 L44 L250	C39-L41 HydrophobicContact CB-CD2 4.15Å; L41-L44 HydrophobicContact CB-CB 4.27Å; L41-L44 HydrophobicContact CD1-CB 4.34Å; L41-L44 HydrophobicContact CD2-CD1 4.27Å; L41-L250 HydrophobicContact CD2-CB 4.01Å
42	H	98.8	Very high	98.5	Very high	36 Å²	36	73 Å²	73	17%	0.167	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.9	172	178	64	0	0	0	109.3	L44 Y241 K242 N245 I247 P248 G249	H42-L44 PolarHBondContact O-N 3.23Å; H42-Y241 HydrophobicContact CB-CD2 3.76Å; H42-Y241 HydrophobicContact CB-CE2 3.81Å; H42-K242 HydrophobicContact CB-CG 3.94Å; H42-N245 PolarHBondContact NE2-O 2.92Å; H42-I247 PolarHBondContact CD2-O 2.99Å; H42-P248 CarbonylContact O-C 3.56Å; H42-P248 VanDerWaalsContact O-CA 3.26Å; H42-P248 WeakPolarHBondContact O-CA 3.46Å; H42-G249 PolarHBondContact N-O 2.8Å; H42-G249 PolarHBondContact O-N 3.42Å
43	L	98.7	Very high	98.5	Very high	116 Å²	116	75.4 Å²	75.4	61%	0.607	39%	0.394	S	S	*	.	S	Bend	trans	54	33.5	-177.4	-55.3	176.1	0	0	0	114.3	N245 P248	L43-N245 WeakPolarHBondContact CD1-O 3.4Å; L43-P248 HydrophobicContact CB-CB 4.2Å
44	L	98.7	Very high	98.5	Very high	33 Å²	33	71.1 Å²	71.1	17%	0.173	37%	0.368	C	S	.	.			trans	-128.4	132.6	172.9	-66.9	168.2	0	0	0	109	L41 H42 P248 L250 F266 Y270 I278	L41-L44 HydrophobicContact CB-CB 4.27Å; L41-L44 HydrophobicContact CD1-CB 4.34Å; L41-L44 HydrophobicContact CD2-CD1 4.27Å; H42-L44 PolarHBondContact O-N 3.23Å; L44-P248 HydrophobicContact CD1-CB 4.46Å; L44-P248 HydrophobicContact CD2-CB 3.81Å; L44-P248 HydrophobicContact CD2-CG 4.49Å; L44-P248 HydrophobicContact CG-CB 3.84Å; L44-L250 HydrophobicContact CD1-CD2 4.27Å; L44-F266 HydrophobicContact CD1-CE1 4.1Å; L44-F266 HydrophobicContact CD1-CZ 4.44Å; L44-Y270 HydrophobicContact CD2-CE2 4.19Å; L44-I278 HydrophobicContact CD1-CD1 4.22Å
45	E	98	Very high	98.6	Very high	201 Å²	201	72.2 Å²	72.2	94%	0.939	38%	0.377	S	S	*	.	S	Bend	trans	-75.1	-39.8	174.3	-65	-177.5	168.1	0	0	111.2
46	E	97.9	Very high	98.5	Very high	160 Å²	160	67.1 Å²	67.1	75%	0.748	35%	0.35	S	S	*	.	S	Bend	trans	-129.2	148.1	178.7	-63.7	-175.4	176	0	0	110.4	F266	E46-F266 WeakPolarHBondContact O-CZ 3.26Å
47	G	98.3	Very high	98.5	Very high	25 Å²	25	70 Å²	70	26%	0.258	38%	0.376	S	S	.	.			trans	-114.2	-167.7	179.3	0	0	0	0	0	112.5
48	P	98.6	Very high	98.6	Very high	17 Å²	17	67.3 Å²	67.3	11%	0.11	36%	0.364	C	S	.	.	S	Bend	trans	-55.9	154.9	170.1	-20.2	31.8	0	0	0	111.8	L250 A263 F266	P48-L250 HydrophobicContact CG-CD1 3.73Å; P48-A263 HydrophobicContact CG-CB 4.16Å; P48-F266 HydrophobicContact CB-CB 4.16Å; P48-F266 HydrophobicContact CB-CG 4.43Å; P48-F266 HydrophobicContact CG-CB 3.87Å; P48-F266 HydrophobicContact CG-CD1 4.12Å; P48-F266 HydrophobicContact CG-CD2 4.45Å; P48-F266 HydrophobicContact CG-CG 3.9Å
49	P	98.4	Very high	98.6	Very high	67 Å²	67	60 Å²	60	44%	0.435	33%	0.332	S	S	.	.			trans	-61.3	151.7	175.6	28.7	-35.7	0	0	0	111.1	I36	I36-P49 VanDerWaalsContact CD1-O 3.29Å; I36-P49 WeakPolarHBondContact CD1-O 3.43Å
50	V	98.6	Very high	98.6	Very high	69 Å²	69	61 Å²	61	42%	0.418	34%	0.336	S	S	.	.	S	Bend	trans	-92.9	1.6	176.9	-62.3	0	0	0	0	113.1	E35 I36 K38	E35-V50 WeakPolarHBondContact CA-O 3.45Å; I36-V50 PolarHBondContact N-O 2.91Å; K38-V50 HydrophobicContact CB-CG1 3.8Å; K38-V50 HydrophobicContact CG-CG1 3.99Å
51	T	98.5	Very high	98.6	Very high	70 Å²	70	63.2 Å²	63.2	43%	0.429	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.3	172.8	58.6	0	0	0	0	109.5	F34 E35	F34-T51 CarbonylContact O-C 3.58Å; F34-T51 VanDerWaalsContact O-CA 3.27Å; F34-T51 WeakPolarHBondContact O-CA 3.4Å; E35-T51 HydrophobicContact CG-CG2 4.29Å
52	T	98.7	Very high	98.6	Very high	14 Å²	14	61.4 Å²	61.4	9%	0.086	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.3	175.9	-170.2	0	0	0	0	112.4	T33 F34 I36 L258 R261 E262	T33-T52 WeakPolarHBondContact CA-O 3.39Å; F34-T52 PolarHBondContact N-O 3.28Å; F34-T52 PolarHBondContact O-N 2.92Å; I36-T52 HydrophobicContact CD1-CG2 4.13Å; I36-T52 HydrophobicContact CG2-CG2 4.05Å; T52-L258 HydrophobicContact CG2-CB 4.08Å; T52-L258 HydrophobicContact CG2-CD1 4.14Å; T52-R261 PolarHBondContact OG1-NH2 3.38Å; T52-E262 HydrophobicContact CG2-CG 4.02Å; T52-E262 VanDerWaalsContact OG1-CD 3.24Å; T52-E262 PolarHBondContact OG1-OE1 2.75Å; T52-E262 VanDerWaalsContact OG1-OE1 3.09Å
53	V	98.6	Very high	98.6	Very high	69 Å²	69	60.4 Å²	60.4	42%	0.418	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.8	171.8	-176.7	0	0	0	0	109.6	D31 A32 R261	D31-V53 HydrophobicContact CB-CG1 3.76Å; A32-V53 WeakPolarHBondContact O-CA 3.33Å; V53-R261 PolarHBondContact O-NH2 2.79Å
54	L	98.8	Very high	98.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.6	168.7	174.6	67.5	0	0	0	108.2	D31 A32 F34 E58 Y62 L258 L318 M322 L327	D31-L54 VanDerWaalsContact CA-O 3.27Å; D31-L54 WeakPolarHBondContact CA-O 3.25Å; A32-L54 PolarHBondContact N-O 2.82Å; A32-L54 PolarHBondContact O-N 3.15Å; F34-L54 HydrophobicContact CD2-CB 3.96Å; F34-L54 HydrophobicContact CE2-CB 3.81Å; F34-L54 HydrophobicContact CE2-CD2 4.06Å; F34-L54 HydrophobicContact CE2-CG 4.5Å; L54-E58 HydrophobicContact CD1-CB 3.73Å; L54-Y62 HydrophobicContact CD1-CD2 4.05Å; L54-Y62 HydrophobicContact CD1-CE2 3.79Å; L54-L258 HydrophobicContact CB-CD1 4.39Å; L54-L258 HydrophobicContact CB-CD2 4.43Å; L54-L258 HydrophobicContact CD1-CD2 3.98Å; L54-L258 HydrophobicContact CD2-CD1 4.34Å; L54-L258 HydrophobicContact CD2-CD2 4.25Å; L54-L258 HydrophobicContact CG-CD2 4.45Å; L54-L318 HydrophobicContact CD2-CD1 3.94Å; L54-M322 HydrophobicContact CD2-CG 4.49Å; L54-L327 HydrophobicContact CB-CD1 4.48Å; L54-L327 HydrophobicContact CD2-CD1 4.01Å; L54-L327 HydrophobicContact CG-CD1 4.17Å
55	T	98.7	Very high	98.6	Very high	48 Å²	48	58 Å²	58	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	154.5	171.8	66.8	0	0	0	0	110.7	N30 D31 A57 E58 G59	N30-T55 CarbonylContact O-C 3.51Å; N30-T55 WeakPolarHBondContact O-CA 3.14Å; D31-T55 HydrophobicContact CB-CG2 4.21Å; T55-A57 VanDerWaalsContact C-N 3.26Å; T55-A57 PolarHBondContact O-N 3.31Å; T55-E58 WeakPolarHBondContact CB-OE2 3.45Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.44Å; T55-E58 PolarHBondContact N-OE2 3.25Å; T55-E58 PolarHBondContact O-N 3.46Å; T55-E58 WeakPolarHBondContact OG1-CB 3.43Å; T55-E58 VanDerWaalsContact OG1-CD 3.27Å; T55-E58 WeakPolarHBondContact OG1-CG 3.4Å; T55-E58 PolarHBondContact OG1-N 2.6Å; T55-E58 PolarHBondContact OG1-OE2 2.99Å; T55-G59 PolarHBondContact O-N 2.8Å
56	R	98.3	Very high	98.6	Very high	57 Å²	57	48.4 Å²	48.4	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-55.3	-42.4	173.7	168.6	169.9	167.9	83.5	2.3	112.1	N30 G59 L60 L327 E332	N30-R56 PolarHBondContact O-N 3.26Å; R56-G59 PolarHBondContact O-N 2.72Å; R56-L60 HydrophobicContact CG-CD1 3.99Å; R56-L60 WeakPolarHBondContact O-CG 3.25Å; R56-L60 PolarHBondContact O-N 3.29Å; R56-L327 HydrophobicContact CB-CD2 4.02Å; R56-L327 VanDerWaalsContact CD-O 3.27Å; R56-L327 WeakPolarHBondContact CD-O 3.16Å; R56-L327 VanDerWaalsContact CG-O 3.24Å; R56-L327 WeakPolarHBondContact CG-O 3.26Å; R56-L327 PolarHBondContact NH1-O 3.39Å; R56-E332 IonicContact CZ-OE1 3.31Å; R56-E332 IonicContact CZ-OE2 3.64Å; R56-E332 VanDerWaalsContact CZ-OE2 3.27Å; R56-E332 IonicContact NH1-OE1 2.97Å; R56-E332 IonicContact NH1-OE2 3.86Å; R56-E332 PolarHBondContact NH1-OE2 3.48Å; R56-E332 IonicContact NH2-OE1 2.73Å; R56-E332 PolarHBondContact NH2-OE1 3.1Å; R56-E332 IonicContact NH2-OE2 3.23Å; R56-E332 PolarHBondContact NH2-OE2 3.18Å
57	A	98.4	Very high	98.7	Very high	74 Å²	74	41.8 Å²	41.8	61%	0.612	23%	0.233	S	C	*	.	H	α-helix	trans	-64.2	-44.8	-179	0	0	0	0	0	112	T55 K61	T55-A57 VanDerWaalsContact C-N 3.26Å; T55-A57 PolarHBondContact O-N 3.31Å; A57-K61 WeakPolarHBondContact O-CB 3.14Å; A57-K61 PolarHBondContact O-N 3.47Å; A57-K61 VanDerWaalsContact O-N 3.12Å
58	E	98.6	Very high	98.7	Very high	61 Å²	61	40.6 Å²	40.6	29%	0.285	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-45.8	174.1	-72.2	168.9	134.2	0	0	111.5	L54 T55 L60 K61 Y62 R261	L54-E58 HydrophobicContact CD1-CB 3.73Å; T55-E58 WeakPolarHBondContact CB-OE2 3.45Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.44Å; T55-E58 PolarHBondContact N-OE2 3.25Å; T55-E58 PolarHBondContact O-N 3.46Å; T55-E58 WeakPolarHBondContact OG1-CB 3.43Å; T55-E58 VanDerWaalsContact OG1-CD 3.27Å; T55-E58 WeakPolarHBondContact OG1-CG 3.4Å; T55-E58 PolarHBondContact OG1-N 2.6Å; T55-E58 PolarHBondContact OG1-OE2 2.99Å; E58-L60 PolarHBondContact O-N 2.94Å; E58-K61 WeakPolarHBondContact O-CB 3.46Å; E58-K61 PolarHBondContact O-N 2.9Å; E58-Y62 HydrophobicContact CB-CE2 3.93Å; E58-Y62 WeakPolarHBondContact O-CD1 3.29Å; E58-Y62 WeakPolarHBondContact O-CD2 3.48Å; E58-Y62 PolarHBondContact O-N 2.98Å; E58-R261 IonicContact OE1-NH1 3.11Å; E58-R261 IonicContact OE2-NH1 2.84Å
59	G	98.8	Very high	98.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.9	-49.4	179.1	0	0	0	0	0	112.5	T55 R56 K61 Y62 Y63	T55-G59 PolarHBondContact O-N 2.8Å; R56-G59 PolarHBondContact O-N 2.72Å; G59-K61 VanDerWaalsContact C-N 3.31Å; G59-K61 PolarHBondContact O-N 3.36Å; G59-Y62 PolarHBondContact O-N 2.92Å; G59-Y63 WeakPolarHBondContact O-CB 3.4Å; G59-Y63 PolarHBondContact O-N 3.49Å
60	L	98.8	Very high	98.8	Very high	33 Å²	33	38 Å²	38	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-38.6	178.1	-68.4	170.4	0	0	0	111.7	R56 E58 R64 M322 A328 E332 L333 I336	R56-L60 HydrophobicContact CG-CD1 3.99Å; R56-L60 WeakPolarHBondContact O-CG 3.25Å; R56-L60 PolarHBondContact O-N 3.29Å; E58-L60 PolarHBondContact O-N 2.94Å; L60-R64 WeakPolarHBondContact O-CB 3.49Å; L60-R64 PolarHBondContact O-N 3.43Å; L60-M322 HydrophobicContact CD2-CE 3.83Å; L60-M322 HydrophobicContact CG-CE 3.94Å; L60-A328 HydrophobicContact CD2-CB 3.98Å; L60-E332 HydrophobicContact CD2-CG 4.18Å; L60-L333 HydrophobicContact CD2-CD2 3.98Å; L60-I336 HydrophobicContact CD2-CD1 3.81Å
61	K	98.9	Very high	98.8	Very high	127 Å²	127	39.1 Å²	39.1	55%	0.552	20%	0.197	S	C	*	.	H	α-helix	trans	-62.5	-51.9	175.3	179.4	-176.9	175.2	-173	0	111.3	A57 E58 G59 Y63 R64 M65	A57-K61 WeakPolarHBondContact O-CB 3.14Å; A57-K61 PolarHBondContact O-N 3.47Å; A57-K61 VanDerWaalsContact O-N 3.12Å; E58-K61 WeakPolarHBondContact O-CB 3.46Å; E58-K61 PolarHBondContact O-N 2.9Å; G59-K61 VanDerWaalsContact C-N 3.31Å; G59-K61 PolarHBondContact O-N 3.36Å; K61-Y63 PolarHBondContact O-N 3.13Å; K61-R64 PolarHBondContact O-N 3.46Å; K61-M65 HydrophobicContact CD-SD 4.33Å; K61-M65 HydrophobicContact CG-SD 3.76Å; K61-M65 WeakPolarHBondContact O-CB 3.13Å; K61-M65 VanDerWaalsContact O-CG 3.27Å; K61-M65 WeakPolarHBondContact O-CG 3.39Å; K61-M65 PolarHBondContact O-N 2.88Å
62	Y	98.9	Very high	98.8	Very high	13 Å²	13	35.8 Å²	35.8	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-42.7	-178.4	-57.8	-22.3	0	0	0	111.5	L54 E58 G59 M65 M66 V100 A104 R261	L54-Y62 HydrophobicContact CD1-CD2 4.05Å; L54-Y62 HydrophobicContact CD1-CE2 3.79Å; E58-Y62 HydrophobicContact CB-CE2 3.93Å; E58-Y62 WeakPolarHBondContact O-CD1 3.29Å; E58-Y62 WeakPolarHBondContact O-CD2 3.48Å; E58-Y62 PolarHBondContact O-N 2.98Å; G59-Y62 PolarHBondContact O-N 2.92Å; Y62-M65 PolarHBondContact O-N 3.3Å; Y62-M66 WeakPolarHBondContact O-CG 3.3Å; Y62-M66 PolarHBondContact O-N 3.45Å; Y62-V100 HydrophobicContact CD1-CG1 4.05Å; Y62-V100 HydrophobicContact CG-CG1 4.24Å; Y62-A104 HydrophobicContact CD1-CB 4.37Å; Y62-A104 HydrophobicContact CE1-CB 3.56Å; Y62-A104 HydrophobicContact CE2-CB 4.42Å; Y62-R261 WeakPolarHBondContact OH-CD 3.3Å
63	Y	98.9	Very high	98.8	Very high	14 Å²	14	35.1 Å²	35.1	6%	0.055	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-49	176.7	-178.7	-95.4	0	0	0	111.5	G59 K61 M65 L67 I315 Q319 L333 I336	G59-Y63 WeakPolarHBondContact O-CB 3.4Å; G59-Y63 PolarHBondContact O-N 3.49Å; K61-Y63 PolarHBondContact O-N 3.13Å; Y63-M65 VanDerWaalsContact C-N 3.35Å; Y63-M65 PolarHBondContact O-N 3.22Å; Y63-L67 HydrophobicContact CE1-CD2 3.97Å; Y63-L67 VanDerWaalsContact O-CB 3.25Å; Y63-L67 WeakPolarHBondContact O-CB 3.45Å; Y63-L67 PolarHBondContact O-N 3.34Å; Y63-I315 HydrophobicContact CD2-CG2 4.08Å; Y63-I315 HydrophobicContact CE2-CG2 3.52Å; Y63-Q319 HydrophobicContact CE2-CB 4Å; Y63-L333 HydrophobicContact CD1-CD2 3.66Å; Y63-L333 HydrophobicContact CD2-CD2 4.41Å; Y63-L333 HydrophobicContact CE1-CB 3.82Å; Y63-L333 HydrophobicContact CE1-CD2 3.86Å; Y63-L333 HydrophobicContact CE1-CG 4.33Å; Y63-L333 HydrophobicContact CE2-CD1 4.45Å; Y63-L333 HydrophobicContact CG-CD2 3.95Å; Y63-I336 HydrophobicContact CD1-CB 4.5Å; Y63-I336 HydrophobicContact CD1-CD1 4.28Å; Y63-I336 HydrophobicContact CD1-CG2 4.08Å; Y63-I336 HydrophobicContact CE1-CB 4.38Å; Y63-I336 HydrophobicContact CE1-CG2 4.2Å
64	R	98.9	Very high	98.8	Very high	76 Å²	76	34.7 Å²	34.7	29%	0.287	17%	0.168	S	C	.	.	H	α-helix	trans	-58.1	-47	175.4	-173.8	-176.6	-164.1	-67.7	-2	111.3	L60 K61 L67 T68 I336 V340 E343	L60-R64 WeakPolarHBondContact O-CB 3.49Å; L60-R64 PolarHBondContact O-N 3.43Å; K61-R64 PolarHBondContact O-N 3.46Å; R64-L67 PolarHBondContact O-N 3.3Å; R64-T68 WeakPolarHBondContact O-CB 3.43Å; R64-T68 PolarHBondContact O-N 3.12Å; R64-T68 PolarHBondContact O-OG1 3.47Å; R64-T68 VanDerWaalsContact O-OG1 3.06Å; R64-I336 HydrophobicContact CB-CG2 3.85Å; R64-I336 HydrophobicContact CG-CG2 3.91Å; R64-V340 HydrophobicContact CG-CG2 3.9Å; R64-E343 IonicContact CZ-OE2 3.08Å; R64-E343 VanDerWaalsContact CZ-OE2 3.31Å; R64-E343 IonicContact NH1-OE2 2.79Å; R64-E343 PolarHBondContact NH1-OE2 2.93Å; R64-E343 IonicContact NH2-OE2 3.62Å; R64-E343 PolarHBondContact NH2-OE2 3.3Å
65	M	98.9	Very high	98.8	Very high	22 Å²	22	36.1 Å²	36.1	11%	0.108	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-49.6	-177.7	-72.7	172.9	65.8	0	0	112.2	K61 Y62 Y63 L67 T68 V69 V100 E103 Y123 T124	K61-M65 HydrophobicContact CD-SD 4.33Å; K61-M65 HydrophobicContact CG-SD 3.76Å; K61-M65 WeakPolarHBondContact O-CB 3.13Å; K61-M65 VanDerWaalsContact O-CG 3.27Å; K61-M65 WeakPolarHBondContact O-CG 3.39Å; K61-M65 PolarHBondContact O-N 2.88Å; Y62-M65 PolarHBondContact O-N 3.3Å; Y63-M65 VanDerWaalsContact C-N 3.35Å; Y63-M65 PolarHBondContact O-N 3.22Å; M65-L67 VanDerWaalsContact C-N 3.31Å; M65-L67 PolarHBondContact O-N 3.48Å; M65-T68 PolarHBondContact O-N 2.9Å; M65-V69 WeakPolarHBondContact O-CG2 3.24Å; M65-V69 PolarHBondContact O-N 3.01Å; M65-V100 HydrophobicContact CB-CG1 4.17Å; M65-V100 HydrophobicContact CB-CG2 3.84Å; M65-V100 HydrophobicContact CE-CG1 4.44Å; M65-E103 HydrophobicContact CE-CG 4.17Å; M65-Y123 HydrophobicContact CB-CE1 4.2Å; M65-Y123 HydrophobicContact CG-CE1 4.21Å; M65-T124 HydrophobicContact CE-CG2 3.74Å
66	M	98.9	Very high	98.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-41.5	177.9	-69	-167.2	-64.9	0	0	111.1	Y62 T68 V69 R70 E96 A97 V100 V257 P314 I315 L318	Y62-M66 WeakPolarHBondContact O-CG 3.3Å; Y62-M66 PolarHBondContact O-N 3.45Å; M66-T68 PolarHBondContact O-N 2.94Å; M66-V69 PolarHBondContact O-N 2.84Å; M66-R70 PolarHBondContact O-N 3.05Å; M66-E96 HydrophobicContact CB-CB 3.76Å; M66-E96 HydrophobicContact CB-CG 4.45Å; M66-E96 HydrophobicContact CG-CB 3.77Å; M66-E96 HydrophobicContact SD-CB 4.15Å; M66-A97 HydrophobicContact SD-CB 4.4Å; M66-V100 HydrophobicContact CB-CG2 4.39Å; M66-V100 HydrophobicContact CG-CB 3.74Å; M66-V100 HydrophobicContact CG-CG1 4.05Å; M66-V100 HydrophobicContact CG-CG2 3.51Å; M66-V257 HydrophobicContact CE-CB 4.39Å; M66-V257 HydrophobicContact CE-CG1 4.27Å; M66-V257 HydrophobicContact SD-CB 4.13Å; M66-V257 HydrophobicContact SD-CG2 4.23Å; M66-P314 HydrophobicContact SD-CB 4.27Å; M66-I315 HydrophobicContact CB-CD1 4.3Å; M66-I315 HydrophobicContact CB-CG1 3.82Å; M66-L318 HydrophobicContact CE-CB 3.81Å; M66-L318 HydrophobicContact CE-CD2 3.37Å; M66-L318 HydrophobicContact CE-CG 4.22Å
67	L	98.9	Very high	98.9	Very high	21 Å²	21	32.2 Å²	32.2	11%	0.11	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-38.8	177.3	-171	58.9	0	0	0	112.2	Y63 R64 M65 R70 R71 I315 V340	Y63-L67 HydrophobicContact CE1-CD2 3.97Å; Y63-L67 VanDerWaalsContact O-CB 3.25Å; Y63-L67 WeakPolarHBondContact O-CB 3.45Å; Y63-L67 PolarHBondContact O-N 3.34Å; R64-L67 PolarHBondContact O-N 3.3Å; M65-L67 VanDerWaalsContact C-N 3.31Å; M65-L67 PolarHBondContact O-N 3.48Å; L67-R70 PolarHBondContact O-N 2.92Å; L67-R71 HydrophobicContact CD1-CG 4.12Å; L67-R71 HydrophobicContact CG-CG 4.33Å; L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 WeakPolarHBondContact O-CG 3.22Å; L67-R71 PolarHBondContact O-N 2.99Å; L67-I315 HydrophobicContact CD1-CD1 4.22Å; L67-V340 HydrophobicContact CG-CG1 4.28Å
68	T	98.9	Very high	98.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-46.5	173.3	-66.4	0	0	0	0	111.2	R64 M65 M66 R71 M72 Y123 V129 I344	R64-T68 WeakPolarHBondContact O-CB 3.43Å; R64-T68 PolarHBondContact O-N 3.12Å; R64-T68 PolarHBondContact O-OG1 3.47Å; R64-T68 VanDerWaalsContact O-OG1 3.06Å; M65-T68 PolarHBondContact O-N 2.9Å; M66-T68 PolarHBondContact O-N 2.94Å; T68-R71 PolarHBondContact O-N 2.93Å; T68-M72 VanDerWaalsContact O-CB 3.26Å; T68-M72 WeakPolarHBondContact O-CB 3.44Å; T68-M72 PolarHBondContact O-N 3.11Å; T68-Y123 HydrophobicContact CG2-CD1 4.49Å; T68-Y123 HydrophobicContact CG2-CD2 4.2Å; T68-Y123 HydrophobicContact CG2-CE1 3.92Å; T68-Y123 HydrophobicContact CG2-CE2 3.59Å; T68-Y123 VanDerWaalsContact CG2-CZ 3.43Å; T68-V129 HydrophobicContact CG2-CG2 3.45Å; T68-V129 VanDerWaalsContact CG2-CG2 3.45Å; T68-I344 HydrophobicContact CG2-CD1 4.18Å
69	V	98.9	Very high	98.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-52.5	175.6	175.5	0	0	0	0	110.7	M65 M66 R71 M72 E73 C92 E96 Y123	M65-V69 WeakPolarHBondContact O-CG2 3.24Å; M65-V69 PolarHBondContact O-N 3.01Å; M66-V69 PolarHBondContact O-N 2.84Å; V69-R71 VanDerWaalsContact C-N 3.31Å; V69-R71 PolarHBondContact O-N 2.97Å; V69-M72 WeakPolarHBondContact O-CB 3.34Å; V69-M72 PolarHBondContact O-N 3.11Å; V69-E73 HydrophobicContact CG1-CG 4.34Å; V69-E73 WeakPolarHBondContact O-CG 3.45Å; V69-E73 PolarHBondContact O-N 3.16Å; V69-C92 VanDerWaalsContact CG1-SG 3.51Å; V69-E96 HydrophobicContact CB-CG 4.05Å; V69-E96 HydrophobicContact CG1-CG 3.88Å; V69-Y123 HydrophobicContact CG2-CD1 3.69Å; V69-Y123 HydrophobicContact CG2-CE1 4.4Å; V69-Y123 HydrophobicContact CG2-CG 4.39Å
70	R	98.9	Very high	98.9	Very high	30 Å²	30	31.8 Å²	31.8	11%	0.113	14%	0.139	C	C	.	.	H	α-helix	trans	-51.9	-48.5	177.7	175.5	63.8	58.4	76	8.4	112.2	M66 L67 E73 L74 E96 D313 I315	M66-R70 PolarHBondContact O-N 3.05Å; L67-R70 PolarHBondContact O-N 2.92Å; R70-E73 PolarHBondContact O-N 3.08Å; R70-L74 HydrophobicContact CG-CD1 4.25Å; R70-L74 VanDerWaalsContact O-CG 3.28Å; R70-L74 WeakPolarHBondContact O-CG 3.21Å; R70-L74 PolarHBondContact O-N 2.88Å; R70-L74 VanDerWaalsContact O-N 3.09Å; R70-E96 IonicContact CZ-OE1 3.53Å; R70-E96 VanDerWaalsContact CZ-OE1 3.23Å; R70-E96 IonicContact CZ-OE2 3.73Å; R70-E96 IonicContact NE-OE1 2.71Å; R70-E96 PolarHBondContact NE-OE1 2.97Å; R70-E96 IonicContact NE-OE2 3.75Å; R70-E96 IonicContact NH2-OE1 2.63Å; R70-E96 PolarHBondContact NH2-OE1 3.15Å; R70-E96 VanDerWaalsContact NH2-OE1 3.09Å; R70-E96 IonicContact NH2-OE2 2.84Å; R70-E96 PolarHBondContact NH2-OE2 3.02Å; R70-D313 IonicContact CZ-OD2 3.28Å; R70-D313 VanDerWaalsContact CZ-OD2 3.25Å; R70-D313 IonicContact NH1-OD1 3.56Å; R70-D313 IonicContact NH1-OD2 2.86Å; R70-D313 PolarHBondContact NH1-OD2 2.94Å; R70-D313 IonicContact NH2-OD2 2.71Å; R70-D313 PolarHBondContact NH2-OD2 2.92Å; R70-I315 HydrophobicContact CB-CD1 3.65Å; R70-I315 HydrophobicContact CG-CD1 4.03Å
71	R	98.9	Very high	98.9	Very high	92 Å²	92	36.5 Å²	36.5	35%	0.347	16%	0.159	S	C	.	.	H	α-helix	trans	-73.7	-33.4	-176.2	-63.1	-61.9	-62.4	175.8	1.7	112.1	L67 T68 V69 K75 V340 I344	L67-R71 HydrophobicContact CD1-CG 4.12Å; L67-R71 HydrophobicContact CG-CG 4.33Å; L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 WeakPolarHBondContact O-CG 3.22Å; L67-R71 PolarHBondContact O-N 2.99Å; T68-R71 PolarHBondContact O-N 2.93Å; V69-R71 VanDerWaalsContact C-N 3.31Å; V69-R71 PolarHBondContact O-N 2.97Å; R71-K75 WeakPolarHBondContact O-CB 2.95Å; R71-K75 PolarHBondContact O-N 3.29Å; R71-V340 HydrophobicContact CB-CG1 4.18Å; R71-V340 HydrophobicContact CG-CG1 4.07Å; R71-I344 HydrophobicContact CB-CD1 4.39Å; R71-I344 HydrophobicContact CB-CG1 3.65Å
72	M	98.9	Very high	98.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-46.3	171.5	177.8	176.7	66.3	0	0	111.1	T68 V69 K75 A76 H119 V129 I132 L133 I344	T68-M72 VanDerWaalsContact O-CB 3.26Å; T68-M72 WeakPolarHBondContact O-CB 3.44Å; T68-M72 PolarHBondContact O-N 3.11Å; V69-M72 WeakPolarHBondContact O-CB 3.34Å; V69-M72 PolarHBondContact O-N 3.11Å; M72-K75 WeakPolarHBondContact O-CB 3.48Å; M72-K75 PolarHBondContact O-N 3.05Å; M72-A76 PolarHBondContact O-N 3.37Å; M72-H119 HydrophobicContact CE-CB 3.75Å; M72-V129 HydrophobicContact CB-CG1 4.34Å; M72-V129 HydrophobicContact CG-CG1 4.08Å; M72-V129 HydrophobicContact SD-CB 4.47Å; M72-V129 HydrophobicContact SD-CG1 4.15Å; M72-V129 HydrophobicContact SD-CG2 4.25Å; M72-I132 HydrophobicContact CE-CD1 4.26Å; M72-I132 HydrophobicContact CE-CG2 4.49Å; M72-I132 HydrophobicContact SD-CB 4.07Å; M72-I132 HydrophobicContact SD-CD1 3.84Å; M72-I132 HydrophobicContact SD-CG2 3.74Å; M72-L133 HydrophobicContact CG-CD2 3.99Å; M72-L133 HydrophobicContact CG-CG 4.44Å; M72-I344 HydrophobicContact CB-CD1 4.03Å
73	E	98.9	Very high	98.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-43.2	179.7	-63.8	-68.3	-161.8	0	0	112.3	V69 R70 K75 A76 D77 L91 C92 D93 H119	V69-E73 HydrophobicContact CG1-CG 4.34Å; V69-E73 WeakPolarHBondContact O-CG 3.45Å; V69-E73 PolarHBondContact O-N 3.16Å; R70-E73 PolarHBondContact O-N 3.08Å; E73-K75 PolarHBondContact O-N 2.67Å; E73-A76 WeakPolarHBondContact O-CB 3.39Å; E73-A76 PolarHBondContact O-N 3.4Å; E73-A76 VanDerWaalsContact O-N 3.12Å; E73-D77 PolarHBondContact O-N 3.4Å; E73-L91 HydrophobicContact CB-CB 4.28Å; E73-L91 HydrophobicContact CB-CD2 4.42Å; E73-L91 WeakPolarHBondContact OE2-CA 3.48Å; E73-L91 WeakPolarHBondContact OE2-CD2 3.36Å; E73-C92 PolarHBondContact OE1-N 3.33Å; E73-C92 PolarHBondContact OE1-SG 3.43Å; E73-D93 HydrophobicContact CB-CB 4.18Å; E73-H119 WeakPolarHBondContact OE1-CB 3.15Å; E73-H119 IonicContact OE1-CG 2.76Å; E73-H119 IonicContact OE1-ND1 3.58Å; E73-H119 PolarHBondContact OE1-ND1 3.02Å; E73-H119 IonicContact OE2-CE1 2.68Å; E73-H119 IonicContact OE2-CG 2.85Å; E73-H119 IonicContact OE2-ND1 2.71Å; E73-H119 PolarHBondContact OE2-ND1 3.31Å
74	L	98.9	Very high	98.8	Very high	60 Å²	60	45.8 Å²	45.8	31%	0.314	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-31.1	174	-67.1	175.9	0	0	0	112.5	R70 Q78	R70-L74 HydrophobicContact CG-CD1 4.25Å; R70-L74 VanDerWaalsContact O-CG 3.28Å; R70-L74 WeakPolarHBondContact O-CG 3.21Å; R70-L74 PolarHBondContact O-N 2.88Å; R70-L74 VanDerWaalsContact O-N 3.09Å; L74-Q78 PolarHBondContact O-N 3.41Å
75	K	98.9	Very high	98.8	Very high	30 Å²	30	42.3 Å²	42.3	13%	0.13	19%	0.188	C	C	.	.	H	α-helix	trans	-72.5	-39.6	173	-177.6	62.5	66.4	173.7	0	111.5	R71 M72 E73 D77 Q78 L79 L133 I344 D345 A348	R71-K75 WeakPolarHBondContact O-CB 2.95Å; R71-K75 PolarHBondContact O-N 3.29Å; M72-K75 WeakPolarHBondContact O-CB 3.48Å; M72-K75 PolarHBondContact O-N 3.05Å; E73-K75 PolarHBondContact O-N 2.67Å; K75-D77 VanDerWaalsContact C-N 3.34Å; K75-Q78 WeakPolarHBondContact O-CB 3.43Å; K75-Q78 PolarHBondContact O-N 3.41Å; K75-L79 HydrophobicContact CD-CD1 4.43Å; K75-L79 HydrophobicContact CD-CG 4.26Å; K75-L79 HydrophobicContact CG-CD1 4.06Å; K75-L79 HydrophobicContact CG-CG 4.32Å; K75-L79 WeakPolarHBondContact O-CG 3.5Å; K75-L79 PolarHBondContact O-N 2.82Å; K75-L133 HydrophobicContact CG-CD1 4.06Å; K75-I344 HydrophobicContact CB-CG2 3.59Å; K75-I344 HydrophobicContact CG-CG2 3.87Å; K75-D345 WeakPolarHBondContact CE-OD1 3.34Å; K75-D345 IonicContact NZ-OD1 3.68Å; K75-D345 PolarHBondContact NZ-OD1 3.31Å; K75-A348 HydrophobicContact CD-CB 3.64Å; K75-A348 HydrophobicContact CG-CB 3.78Å
76	A	98.9	Very high	98.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-41.2	174.5	0	0	0	0	0	111.6	M72 E73 Q78 L79 Y80 I85 L91 L136	M72-A76 PolarHBondContact O-N 3.37Å; E73-A76 WeakPolarHBondContact O-CB 3.39Å; E73-A76 PolarHBondContact O-N 3.4Å; E73-A76 VanDerWaalsContact O-N 3.12Å; A76-Q78 PolarHBondContact O-N 3.28Å; A76-L79 PolarHBondContact O-N 3.18Å; A76-Y80 WeakPolarHBondContact O-CB 3.48Å; A76-Y80 PolarHBondContact O-N 3.14Å; A76-I85 HydrophobicContact CB-CD1 4.12Å; A76-L91 HydrophobicContact CB-CD2 3.82Å; A76-L136 HydrophobicContact CB-CD1 3.9Å
77	D	98.9	Very high	98.8	Very high	22 Å²	22	54.4 Å²	54.4	12%	0.118	25%	0.25	C	C	.	.	H	α-helix	trans	-53.6	-51.6	170	170	74.1	0	0	0	111.6	E73 K75 L79 Y80 K81 L91 H288 M292	E73-D77 PolarHBondContact O-N 3.4Å; K75-D77 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.45Å; D77-Y80 PolarHBondContact O-N 3.01Å; D77-K81 WeakPolarHBondContact O-CG 3.37Å; D77-K81 PolarHBondContact O-N 3.08Å; D77-K81 WeakPolarHBondContact OD1-CE 3.36Å; D77-K81 IonicContact OD1-NZ 2.69Å; D77-K81 PolarHBondContact OD1-NZ 2.95Å; D77-K81 IonicContact OD2-NZ 2.71Å; D77-K81 PolarHBondContact OD2-NZ 3.47Å; D77-L91 HydrophobicContact CB-CD1 3.81Å; D77-H288 IonicContact OD1-NE2 3.93Å; D77-M292 HydrophobicContact CB-CE 4.28Å; D77-M292 HydrophobicContact CB-SD 4.36Å; D77-M292 WeakPolarHBondContact OD1-CE 3.46Å
78	Q	98.9	Very high	98.7	Very high	83 Å²	83	59 Å²	59	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-58.4	-49.3	179.3	-177.5	-178	21	0	0	111.7	L74 K75 A76 Y80 K81 Q82	L74-Q78 PolarHBondContact O-N 3.41Å; K75-Q78 WeakPolarHBondContact O-CB 3.43Å; K75-Q78 PolarHBondContact O-N 3.41Å; A76-Q78 PolarHBondContact O-N 3.28Å; Q78-Y80 VanDerWaalsContact C-N 3.33Å; Q78-Y80 PolarHBondContact O-N 2.85Å; Q78-K81 PolarHBondContact O-N 3.21Å; Q78-Q82 VanDerWaalsContact O-CG 3.32Å; Q78-Q82 WeakPolarHBondContact O-CG 3.32Å; Q78-Q82 PolarHBondContact O-N 3.32Å
79	L	98.8	Very high	98.7	Very high	4 Å²	4	59 Å²	59	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-34.3	-178.4	-70.6	175.6	0	0	0	112.2	K75 A76 D77 Q82 K83 F84 I85 T137 T352	K75-L79 HydrophobicContact CD-CD1 4.43Å; K75-L79 HydrophobicContact CD-CG 4.26Å; K75-L79 HydrophobicContact CG-CD1 4.06Å; K75-L79 HydrophobicContact CG-CG 4.32Å; K75-L79 WeakPolarHBondContact O-CG 3.5Å; K75-L79 PolarHBondContact O-N 2.82Å; A76-L79 PolarHBondContact O-N 3.18Å; D77-L79 PolarHBondContact O-N 3.45Å; L79-Q82 CarbonylContact O-C 3.49Å; L79-Q82 PolarHBondContact O-N 2.9Å; L79-K83 PolarHBondContact O-N 3.43Å; L79-F84 HydrophobicContact CB-CB 4.25Å; L79-F84 HydrophobicContact CD2-CB 4.24Å; L79-F84 HydrophobicContact CD2-CD2 3.89Å; L79-F84 HydrophobicContact CD2-CG 4.33Å; L79-F84 PolarHBondContact O-N 3.17Å; L79-I85 HydrophobicContact CB-CD1 3.63Å; L79-I85 HydrophobicContact CB-CG1 3.92Å; L79-I85 HydrophobicContact CD1-CD1 4.38Å; L79-I85 PolarHBondContact O-N 3.42Å; L79-T137 HydrophobicContact CD1-CG2 4.3Å; L79-T352 HydrophobicContact CD2-CG2 3.63Å
80	Y	98.8	Very high	98.7	Very high	39 Å²	39	59.1 Å²	59.1	15%	0.153	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-44.9	174.1	-168.2	-77.5	0	0	0	111.7	A76 D77 Q78 Q82 K83 I85 G87 C89 M292	A76-Y80 WeakPolarHBondContact O-CB 3.48Å; A76-Y80 PolarHBondContact O-N 3.14Å; D77-Y80 PolarHBondContact O-N 3.01Å; Q78-Y80 VanDerWaalsContact C-N 3.33Å; Q78-Y80 PolarHBondContact O-N 2.85Å; Y80-Q82 PolarHBondContact O-N 3.41Å; Y80-K83 PolarHBondContact O-N 2.87Å; Y80-I85 HydrophobicContact CD2-CB 3.94Å; Y80-I85 HydrophobicContact CD2-CG2 3.68Å; Y80-I85 HydrophobicContact CE2-CG2 4.38Å; Y80-I85 HydrophobicContact CG-CB 4.45Å; Y80-G87 WeakPolarHBondContact CE2-O 3.44Å; Y80-G87 PolarHBondContact OH-O 3.35Å; Y80-C89 HydrophobicContact CD2-CB 3.62Å; Y80-C89 HydrophobicContact CE2-CB 3.87Å; Y80-M292 HydrophobicContact CD1-CB 3.56Å; Y80-M292 HydrophobicContact CD1-CE 3.91Å; Y80-M292 HydrophobicContact CD1-CG 3.91Å; Y80-M292 HydrophobicContact CD2-CB 3.86Å; Y80-M292 HydrophobicContact CD2-CG 3.77Å; Y80-M292 HydrophobicContact CE1-CB 3.46Å; Y80-M292 VanDerWaalsContact CE1-CB 3.46Å; Y80-M292 HydrophobicContact CE1-CG 4.29Å; Y80-M292 HydrophobicContact CE2-CB 3.78Å; Y80-M292 HydrophobicContact CE2-CG 4.18Å; Y80-M292 HydrophobicContact CG-CB 3.77Å; Y80-M292 HydrophobicContact CG-CE 4.13Å; Y80-M292 HydrophobicContact CG-CG 3.64Å
81	K	98.6	Very high	98.7	Very high	133 Å²	133	57.8 Å²	57.8	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-61.7	-34.4	175.3	-72.9	169.4	179.6	159.2	0	112	D77 Q78 K83 M292	D77-K81 WeakPolarHBondContact O-CG 3.37Å; D77-K81 PolarHBondContact O-N 3.08Å; D77-K81 WeakPolarHBondContact OD1-CE 3.36Å; D77-K81 IonicContact OD1-NZ 2.69Å; D77-K81 PolarHBondContact OD1-NZ 2.95Å; D77-K81 IonicContact OD2-NZ 2.71Å; D77-K81 PolarHBondContact OD2-NZ 3.47Å; Q78-K81 PolarHBondContact O-N 3.21Å; K81-K83 PolarHBondContact O-N 3.35Å; K81-M292 HydrophobicContact CG-CE 4.34Å
82	Q	98.6	Very high	98.7	Very high	99 Å²	99	53.7 Å²	53.7	46%	0.463	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.2	173.8	-69.1	174.3	-12.9	0	0	114.3	Q78 L79 Y80 F84	Q78-Q82 VanDerWaalsContact O-CG 3.32Å; Q78-Q82 WeakPolarHBondContact O-CG 3.32Å; Q78-Q82 PolarHBondContact O-N 3.32Å; L79-Q82 CarbonylContact O-C 3.49Å; L79-Q82 PolarHBondContact O-N 2.9Å; Y80-Q82 PolarHBondContact O-N 3.41Å; Q82-F84 HydrophobicContact CB-CD2 3.73Å; Q82-F84 HydrophobicContact CB-CE2 4.16Å; Q82-F84 PolarHBondContact O-N 2.93Å
83	K	98.6	Very high	98.7	Very high	166 Å²	166	53.7 Å²	53.7	72%	0.722	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	14.6	-179.7	-50.1	-59.3	-178.5	-176.2	0	115.3	L79 Y80 K81 I85	L79-K83 PolarHBondContact O-N 3.43Å; Y80-K83 PolarHBondContact O-N 2.87Å; K81-K83 PolarHBondContact O-N 3.35Å; K83-I85 VanDerWaalsContact C-N 3.33Å
84	F	98.6	Very high	98.7	Very high	83 Å²	83	53.7 Å²	53.7	36%	0.364	25%	0.25	S	C	.	.	S	Bend	trans	-72.2	-30.7	168	-75	-68.4	0	0	0	112	L79 Q82 T137 T352	L79-F84 HydrophobicContact CB-CB 4.25Å; L79-F84 HydrophobicContact CD2-CB 4.24Å; L79-F84 HydrophobicContact CD2-CD2 3.89Å; L79-F84 HydrophobicContact CD2-CG 4.33Å; L79-F84 PolarHBondContact O-N 3.17Å; Q82-F84 HydrophobicContact CB-CD2 3.73Å; Q82-F84 HydrophobicContact CB-CE2 4.16Å; Q82-F84 PolarHBondContact O-N 2.93Å; F84-T137 HydrophobicContact CB-CG2 4.09Å; F84-T137 WeakPolarHBondContact O-CA 3.46Å; F84-T352 HydrophobicContact CD1-CG2 3.92Å; F84-T352 HydrophobicContact CD2-CG2 3.96Å; F84-T352 HydrophobicContact CE1-CG2 4.05Å; F84-T352 HydrophobicContact CE2-CG2 4.09Å; F84-T352 HydrophobicContact CG-CG2 3.88Å; F84-T352 HydrophobicContact CZ-CG2 4.13Å
85	I	98.8	Very high	98.7	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	24%	0.236	C	C	.	.	S	Bend	trans	-107.5	141.2	171.8	-55.5	169.9	0	0	0	108	A76 L79 Y80 K83 C89 L136 T137	A76-I85 HydrophobicContact CB-CD1 4.12Å; L79-I85 HydrophobicContact CB-CD1 3.63Å; L79-I85 HydrophobicContact CB-CG1 3.92Å; L79-I85 HydrophobicContact CD1-CD1 4.38Å; L79-I85 PolarHBondContact O-N 3.42Å; Y80-I85 HydrophobicContact CD2-CB 3.94Å; Y80-I85 HydrophobicContact CD2-CG2 3.68Å; Y80-I85 HydrophobicContact CE2-CG2 4.38Å; Y80-I85 HydrophobicContact CG-CB 4.45Å; K83-I85 VanDerWaalsContact C-N 3.33Å; I85-C89 HydrophobicContact CG2-CB 4.31Å; I85-L136 HydrophobicContact CD1-CB 3.69Å; I85-L136 HydrophobicContact CD1-CD1 4.07Å; I85-L136 HydrophobicContact CD1-CG 4.47Å; I85-L136 HydrophobicContact CG1-CB 3.91Å; I85-L136 HydrophobicContact CG2-CB 4.37Å; I85-T137 HydrophobicContact CG1-CG2 4.03Å
86	R	98	Very high	98.7	Very high	222 Å²	222	49.7 Å²	49.7	84%	0.838	23%	0.23	S	C	*	.			trans	-135.6	173.1	-178.9	68.5	-176	-154.1	110.6	4.3	111.2
87	G	98.3	Very high	98.7	Very high	54 Å²	54	49.7 Å²	49.7	56%	0.557	23%	0.23	S	C	*	.	S	Bend	trans	68.6	-135.3	179.5	0	0	0	0	0	111.7	Y80	Y80-G87 WeakPolarHBondContact CE2-O 3.44Å; Y80-G87 PolarHBondContact OH-O 3.35Å
88	F	98.5	Very high	98.7	Very high	116 Å²	116	48.6 Å²	48.6	51%	0.509	22%	0.224	S	C	.	.			trans	-84.5	143.2	177.9	-70.7	-70.3	0	0	0	112.1	H90 S150 M151	F88-H90 AromaticContact CD1-CE1 3.82Å; F88-H90 AromaticContact CD1-NE2 3.98Å; F88-H90 AromaticContact CG-CE1 3.95Å; F88-S150 WeakPolarHBondContact O-CB 3.43Å; F88-M151 HydrophobicContact CB-CE 4.36Å; F88-M151 HydrophobicContact CB-CG 4.09Å; F88-M151 HydrophobicContact CB-SD 3.86Å; F88-M151 HydrophobicContact CD2-CE 3.59Å; F88-M151 HydrophobicContact CD2-SD 3.85Å; F88-M151 HydrophobicContact CE2-CE 4.28Å; F88-M151 HydrophobicContact CG-CE 4.27Å; F88-M151 HydrophobicContact CG-SD 3.95Å
89	C	98.8	Very high	98.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.			trans	-151.7	115.3	170.2	-175.9	0	0	0	0	108.5	Y80 I85 S291 M292	Y80-C89 HydrophobicContact CD2-CB 3.62Å; Y80-C89 HydrophobicContact CE2-CB 3.87Å; I85-C89 HydrophobicContact CG2-CB 4.31Å; C89-S291 WeakPolarHBondContact O-CA 3.34Å; C89-M292 HydrophobicContact CB-CB 4.32Å; C89-M292 HydrophobicContact CB-CG 3.66Å; C89-M292 PolarHBondContact O-N 3.23Å
90	H	98.9	Very high	98.7	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.014	21%	0.206	C	C	.	.			trans	-118	106.8	-173.9	-54	93	0	0	0	109.8	F88 Y116 R117 H290	F88-H90 AromaticContact CD1-CE1 3.82Å; F88-H90 AromaticContact CD1-NE2 3.98Å; F88-H90 AromaticContact CG-CE1 3.95Å; H90-Y116 HydrophobicContact CB-CD2 3.98Å; H90-Y116 HydrophobicContact CB-CE2 4.46Å; H90-Y116 AromaticContact CD2-CD2 3.5Å; H90-Y116 AromaticContact CD2-CE2 3.47Å; H90-Y116 VanDerWaalsContact CD2-CE2 3.47Å; H90-Y116 WeakPolarHBondContact CD2-CE2 3.36Å; H90-Y116 AromaticContact CE1-CD2 3.45Å; H90-Y116 VanDerWaalsContact CE1-CD2 3.45Å; H90-Y116 WeakPolarHBondContact CE1-CD2 3.23Å; H90-Y116 AromaticContact CE1-CE2 3.98Å; H90-Y116 AromaticContact CE1-CG 3.87Å; H90-Y116 AromaticContact CG-CD2 3.39Å; H90-Y116 AromaticContact CG-CE2 3.83Å; H90-Y116 AromaticContact ND1-CD2 3.36Å; H90-Y116 WeakPolarHBondContact ND1-CD2 3.5Å; H90-Y116 AromaticContact ND1-CG 3.96Å; H90-Y116 AromaticContact NE2-CD2 3.59Å; H90-Y116 AromaticContact NE2-CE2 3.63Å; H90-R117 HydrophobicContact CB-CB 4.26Å; H90-R117 HydrophobicContact CB-CG 4.31Å; H90-H290 PolarHBondContact CD2-O 2.84Å; H90-H290 VanDerWaalsContact CD2-O 3.29Å; H90-H290 AromaticContact NE2-NE2 3.97Å
91	L	98.9	Very high	98.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	20%	0.199	C	C	.	.			trans	-87.3	131	-171.8	-51.5	-178.8	0	0	0	112.1	E73 A76 D77 D93 R117 H288 M292	E73-L91 HydrophobicContact CB-CB 4.28Å; E73-L91 HydrophobicContact CB-CD2 4.42Å; E73-L91 WeakPolarHBondContact OE2-CA 3.48Å; E73-L91 WeakPolarHBondContact OE2-CD2 3.36Å; A76-L91 HydrophobicContact CB-CD2 3.82Å; D77-L91 HydrophobicContact CB-CD1 3.81Å; L91-D93 WeakPolarHBondContact CB-OD1 3.48Å; L91-R117 PolarHBondContact O-NH1 3.47Å; L91-H288 HydrophobicContact CB-CB 4.43Å; L91-H288 HydrophobicContact CD1-CB 4.41Å; L91-M292 HydrophobicContact CD1-SD 3.72Å; L91-M292 HydrophobicContact CG-SD 4.25Å
92	C	98.8	Very high	98.8	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.047	17%	0.172	C	C	.	.			trans	-91.1	15.2	179.6	73.5	0	0	0	0	115.1	V69 E73 G94 Q95 R117	V69-C92 VanDerWaalsContact CG1-SG 3.51Å; E73-C92 PolarHBondContact OE1-N 3.33Å; E73-C92 PolarHBondContact OE1-SG 3.43Å; C92-G94 PolarHBondContact O-N 2.93Å; C92-Q95 WeakPolarHBondContact O-CB 3.43Å; C92-Q95 PolarHBondContact O-N 3.01Å; C92-R117 HydrophobicContact CB-CG 3.86Å
93	D	98.9	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	127.3	-178.1	66.2	-57.9	0	0	0	112.6	E73 L91 E96 Y287 H288	E73-D93 HydrophobicContact CB-CB 4.18Å; L91-D93 WeakPolarHBondContact CB-OD1 3.48Å; D93-E96 VanDerWaalsContact CA-OE1 3.24Å; D93-E96 WeakPolarHBondContact CA-OE1 3.39Å; D93-Y287 HydrophobicContact CB-CD2 4.43Å; D93-Y287 PolarHBondContact O-N 3.37Å; D93-H288 IonicContact OD1-CE1 2.73Å; D93-H288 IonicContact OD1-CG 2.78Å; D93-H288 IonicContact OD1-ND1 3.74Å; D93-H288 PolarHBondContact OD1-ND1 3.3Å; D93-H288 IonicContact OD2-CE1 2.7Å; D93-H288 PolarHBondContact OD2-CE1 3.48Å; D93-H288 VanDerWaalsContact OD2-CE1 3.23Å; D93-H288 IonicContact OD2-ND1 3.88Å; D93-H288 PolarHBondContact OD2-ND1 3.29Å
94	G	98.8	Very high	98.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.1	-17.1	-167	0	0	0	0	0	113.6	C92 E96 M255 Y285 Y287	C92-G94 PolarHBondContact O-N 2.93Å; G94-E96 VanDerWaalsContact C-OE2 3.3Å; G94-E96 VanDerWaalsContact CA-OE2 3.28Å; G94-E96 WeakPolarHBondContact CA-OE2 3.21Å; G94-E96 PolarHBondContact N-OE1 3.26Å; G94-E96 PolarHBondContact N-OE2 3.04Å; G94-M255 WeakPolarHBondContact O-CE 3.36Å; G94-Y285 CarbonylContact C-O 3.55Å; G94-Y285 VanDerWaalsContact CA-O 3.32Å; G94-Y285 WeakPolarHBondContact CA-O 3.34Å; G94-Y287 VanDerWaalsContact CA-CE2 3.47Å
95	Q	98.9	Very high	98.8	Very high	6 Å²	6	23 Å²	23	3%	0.028	12%	0.119	C	C	.	.			trans	-110.3	18.6	-179.1	-51.1	-177.3	-8.3	0	0	112.7	C92 A97 C98 N223 T284 Y285	C92-Q95 WeakPolarHBondContact O-CB 3.43Å; C92-Q95 PolarHBondContact O-N 3.01Å; Q95-A97 VanDerWaalsContact C-N 3.27Å; Q95-A97 PolarHBondContact O-N 3.28Å; Q95-C98 VanDerWaalsContact O-CB 3.29Å; Q95-C98 WeakPolarHBondContact O-CB 3.26Å; Q95-C98 PolarHBondContact O-N 2.86Å; Q95-N223 VanDerWaalsContact NE2-CB 3.33Å; Q95-T284 HydrophobicContact CB-CG2 4.4Å; Q95-T284 HydrophobicContact CG-CG2 3.85Å; Q95-Y285 VanDerWaalsContact CG-O 3.31Å; Q95-Y285 WeakPolarHBondContact CG-O 3.48Å
96	E	98.9	Very high	98.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-32.4	-173.8	-64.1	86.1	170.2	0	0	113.1	M66 V69 R70 D93 G94 C98 C99 V100 P314	M66-E96 HydrophobicContact CB-CB 3.76Å; M66-E96 HydrophobicContact CB-CG 4.45Å; M66-E96 HydrophobicContact CG-CB 3.77Å; M66-E96 HydrophobicContact SD-CB 4.15Å; V69-E96 HydrophobicContact CB-CG 4.05Å; V69-E96 HydrophobicContact CG1-CG 3.88Å; R70-E96 IonicContact CZ-OE1 3.53Å; R70-E96 VanDerWaalsContact CZ-OE1 3.23Å; R70-E96 IonicContact CZ-OE2 3.73Å; R70-E96 IonicContact NE-OE1 2.71Å; R70-E96 PolarHBondContact NE-OE1 2.97Å; R70-E96 IonicContact NE-OE2 3.75Å; R70-E96 IonicContact NH2-OE1 2.63Å; R70-E96 PolarHBondContact NH2-OE1 3.15Å; R70-E96 VanDerWaalsContact NH2-OE1 3.09Å; R70-E96 IonicContact NH2-OE2 2.84Å; R70-E96 PolarHBondContact NH2-OE2 3.02Å; D93-E96 VanDerWaalsContact CA-OE1 3.24Å; D93-E96 WeakPolarHBondContact CA-OE1 3.39Å; G94-E96 VanDerWaalsContact C-OE2 3.3Å; G94-E96 VanDerWaalsContact CA-OE2 3.28Å; G94-E96 WeakPolarHBondContact CA-OE2 3.21Å; G94-E96 PolarHBondContact N-OE1 3.26Å; G94-E96 PolarHBondContact N-OE2 3.04Å; E96-C98 PolarHBondContact O-N 2.79Å; E96-C99 PolarHBondContact O-N 2.99Å; E96-C99 PolarHBondContact O-SG 2.88Å; E96-C99 VanDerWaalsContact O-SG 3.36Å; E96-V100 WeakPolarHBondContact O-CB 3.29Å; E96-V100 PolarHBondContact O-N 2.9Å; E96-P314 HydrophobicContact CB-CG 4.35Å; E96-P314 WeakPolarHBondContact OE2-CG 3.49Å
97	A	98.9	Very high	98.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.1	-30.8	174.1	0	0	0	0	0	112.1	M66 Q95 G101 G254 V257 P314	M66-A97 HydrophobicContact SD-CB 4.4Å; Q95-A97 VanDerWaalsContact C-N 3.27Å; Q95-A97 PolarHBondContact O-N 3.28Å; A97-G101 VanDerWaalsContact O-CA 3.27Å; A97-G101 WeakPolarHBondContact O-CA 3.47Å; A97-G101 PolarHBondContact O-N 2.92Å; A97-G254 WeakPolarHBondContact CB-O 3.47Å; A97-V257 HydrophobicContact CB-CB 4.14Å; A97-P314 HydrophobicContact CB-CB 3.62Å
98	C	98.9	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.2	-62	176.6	-56.9	0	0	0	0	110.9	Q95 E96 V100 G101 L102 G254 L282	Q95-C98 VanDerWaalsContact O-CB 3.29Å; Q95-C98 WeakPolarHBondContact O-CB 3.26Å; Q95-C98 PolarHBondContact O-N 2.86Å; E96-C98 PolarHBondContact O-N 2.79Å; C98-V100 PolarHBondContact O-N 2.98Å; C98-G101 PolarHBondContact O-N 3.38Å; C98-L102 VanDerWaalsContact O-CB 3.23Å; C98-L102 WeakPolarHBondContact O-CB 3.24Å; C98-L102 WeakPolarHBondContact O-CD1 3.41Å; C98-L102 WeakPolarHBondContact O-CG 3.45Å; C98-L102 PolarHBondContact O-N 2.99Å; C98-G254 PolarHBondContact SG-O 3.42Å; C98-G254 VanDerWaalsContact SG-O 3.38Å; C98-L282 HydrophobicContact CB-CD1 3.94Å
99	C	98.9	Very high	98.9	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.027	10%	0.098	C	C	.	.	H	α-helix	trans	-63.4	-42	-176.8	56.7	0	0	0	0	113.2	E96 E103 M121 T124	E96-C99 PolarHBondContact O-N 2.99Å; E96-C99 PolarHBondContact O-SG 2.88Å; E96-C99 VanDerWaalsContact O-SG 3.36Å; C99-E103 WeakPolarHBondContact O-CB 3.21Å; C99-E103 PolarHBondContact O-N 3.49Å; C99-E103 VanDerWaalsContact O-N 3.13Å; C99-M121 VanDerWaalsContact CA-CE 3.46Å; C99-M121 HydrophobicContact CB-CE 3.59Å; C99-M121 HydrophobicContact CB-CG 4.18Å; C99-M121 HydrophobicContact CB-SD 3.48Å; C99-M121 WeakPolarHBondContact CB-SD 3.32Å; C99-T124 HydrophobicContact CB-CG2 4.21Å
100	V	98.9	Very high	98.9	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-74.5	-37.8	-179.7	178.3	0	0	0	0	111.9	Y62 M65 M66 E96 C98 A104 T124 V257	Y62-V100 HydrophobicContact CD1-CG1 4.05Å; Y62-V100 HydrophobicContact CG-CG1 4.24Å; M65-V100 HydrophobicContact CB-CG1 4.17Å; M65-V100 HydrophobicContact CB-CG2 3.84Å; M65-V100 HydrophobicContact CE-CG1 4.44Å; M66-V100 HydrophobicContact CB-CG2 4.39Å; M66-V100 HydrophobicContact CG-CB 3.74Å; M66-V100 HydrophobicContact CG-CG1 4.05Å; M66-V100 HydrophobicContact CG-CG2 3.51Å; E96-V100 WeakPolarHBondContact O-CB 3.29Å; E96-V100 PolarHBondContact O-N 2.9Å; C98-V100 PolarHBondContact O-N 2.98Å; V100-A104 VanDerWaalsContact O-CB 3.26Å; V100-A104 WeakPolarHBondContact O-CB 3.27Å; V100-A104 PolarHBondContact O-N 3.2Å; V100-T124 HydrophobicContact CG2-CG2 3.95Å; V100-V257 HydrophobicContact CB-CG2 4.33Å; V100-V257 HydrophobicContact CG1-CG2 4.1Å
101	G	98.9	Very high	98.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.2	-40.5	177.6	0	0	0	0	0	112.4	A97 C98 A104 G105 R261	A97-G101 VanDerWaalsContact O-CA 3.27Å; A97-G101 WeakPolarHBondContact O-CA 3.47Å; A97-G101 PolarHBondContact O-N 2.92Å; C98-G101 PolarHBondContact O-N 3.38Å; G101-A104 PolarHBondContact O-N 3.38Å; G101-G105 PolarHBondContact O-N 2.85Å; G101-R261 WeakPolarHBondContact O-CA 3.48Å
102	L	98.9	Very high	98.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-48.3	174.4	-74.3	166.3	0	0	0	111.2	C98 A104 G105 I106 M121 L189 L191 I219 V260 T264 M280 L282	C98-L102 VanDerWaalsContact O-CB 3.23Å; C98-L102 WeakPolarHBondContact O-CB 3.24Å; C98-L102 WeakPolarHBondContact O-CD1 3.41Å; C98-L102 WeakPolarHBondContact O-CG 3.45Å; C98-L102 PolarHBondContact O-N 2.99Å; L102-A104 VanDerWaalsContact C-N 3.25Å; L102-A104 PolarHBondContact O-N 2.81Å; L102-G105 PolarHBondContact O-N 2.81Å; L102-G105 VanDerWaalsContact O-N 3.09Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.93Å; L102-M121 HydrophobicContact CD1-CE 3.69Å; L102-L189 HydrophobicContact CB-CD1 4.35Å; L102-L189 HydrophobicContact CD2-CD1 4.13Å; L102-L189 HydrophobicContact CD2-CD2 4.36Å; L102-L191 HydrophobicContact CD1-CD2 3.81Å; L102-I219 HydrophobicContact CD1-CD1 4.29Å; L102-I219 HydrophobicContact CD2-CD1 3.45Å; L102-I219 VanDerWaalsContact CD2-CD1 3.45Å; L102-V260 HydrophobicContact CD2-CG1 4.47Å; L102-V260 HydrophobicContact CG-CG1 4.02Å; L102-T264 HydrophobicContact CD2-CG2 4.06Å; L102-T264 WeakPolarHBondContact CD2-OG1 3.21Å; L102-M280 HydrophobicContact CD2-CE 3.61Å; L102-L282 HydrophobicContact CD1-CD1 3.96Å; L102-L282 HydrophobicContact CG-CD1 4.31Å
103	E	98.9	Very high	98.9	Very high	33 Å²	33	15.9 Å²	15.9	15%	0.154	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-39	175.3	-176.1	63.3	-144.5	0	0	112.1	M65 C99 G105 T124 R125	M65-E103 HydrophobicContact CE-CG 4.17Å; C99-E103 WeakPolarHBondContact O-CB 3.21Å; C99-E103 PolarHBondContact O-N 3.49Å; C99-E103 VanDerWaalsContact O-N 3.13Å; E103-G105 PolarHBondContact O-N 3.11Å; E103-T124 HydrophobicContact CB-CG2 4.48Å; E103-T124 VanDerWaalsContact CD-O 3.3Å; E103-R125 IonicContact OE1-CZ 2.8Å; E103-R125 IonicContact OE1-NE 3.8Å; E103-R125 IonicContact OE1-NH2 4Å; E103-R125 PolarHBondContact OE1-NH2 3.2Å; E103-R125 IonicContact OE2-CZ 2.63Å; E103-R125 IonicContact OE2-NE 2.71Å; E103-R125 PolarHBondContact OE2-NE 3.21Å; E103-R125 IonicContact OE2-NH2 3.74Å; E103-R125 PolarHBondContact OE2-NH2 2.92Å
104	A	98.9	Very high	98.9	Very high	25 Å²	25	15.9 Å²	15.9	21%	0.207	10%	0.098	C	C	.	.	H	α-helix	trans	-70	-17.5	179.2	0	0	0	0	0	114.1	Y62 V100 G101 L102 R261	Y62-A104 HydrophobicContact CD1-CB 4.37Å; Y62-A104 HydrophobicContact CE1-CB 3.56Å; Y62-A104 HydrophobicContact CE2-CB 4.42Å; V100-A104 VanDerWaalsContact O-CB 3.26Å; V100-A104 WeakPolarHBondContact O-CB 3.27Å; V100-A104 PolarHBondContact O-N 3.2Å; G101-A104 PolarHBondContact O-N 3.38Å; L102-A104 VanDerWaalsContact C-N 3.25Å; L102-A104 PolarHBondContact O-N 2.81Å; A104-R261 HydrophobicContact CB-CB 4.29Å; A104-R261 HydrophobicContact CB-CG 3.78Å
105	G	98.8	Very high	98.9	Very high	7 Å²	7	16.6 Å²	16.6	7%	0.072	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.1	-178.6	0	0	0	0	0	115.2	G101 L102 E103	G101-G105 PolarHBondContact O-N 2.85Å; L102-G105 PolarHBondContact O-N 2.81Å; L102-G105 VanDerWaalsContact O-N 3.09Å; E103-G105 PolarHBondContact O-N 3.11Å
106	I	98.9	Very high	98.8	Very high	16 Å²	16	18 Å²	18	8%	0.082	11%	0.108	C	C	.	.	S	Bend	trans	-128.4	168.9	-176.5	67.2	-171.7	0	0	0	112.4	L102 D110 I187 L189 T264	L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.93Å; I106-D110 HydrophobicContact CB-CB 4.16Å; I106-I187 HydrophobicContact CG2-CD1 4.39Å; I106-L189 HydrophobicContact CD1-CD1 3.5Å; I106-L189 VanDerWaalsContact CD1-CD1 3.5Å; I106-L189 HydrophobicContact CG2-CD1 3.66Å; I106-L189 HydrophobicContact CG2-CD2 4.44Å; I106-L189 HydrophobicContact CG2-CG 4.23Å; I106-T264 HydrophobicContact CG2-CG2 3.64Å
107	N	98.8	Very high	98.8	Very high	79 Å²	79	18.9 Å²	18.9	42%	0.422	11%	0.111	S	C	.	.			trans	-88	157	172.3	-61.1	-44.2	0	0	0	111	S109 D110 R125 R272	N107-S109 WeakPolarHBondContact CB-OG 3.37Å; N107-S109 PolarHBondContact O-N 3.03Å; N107-D110 WeakPolarHBondContact CB-OD2 3.31Å; N107-D110 PolarHBondContact N-OD2 3.01Å; N107-D110 WeakPolarHBondContact O-CB 3.39Å; N107-D110 PolarHBondContact O-N 3.45Å; N107-R125 PolarHBondContact O-NH2 3.45Å; N107-R272 PolarHBondContact ND2-NH2 3.29Å
108	P	98.5	Very high	98.8	Very high	102 Å²	102	19 Å²	19	66%	0.662	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.6	169.2	-24.7	35.1	0	0	0	113.8	D110 N157	P108-D110 VanDerWaalsContact C-N 3.34Å; P108-N157 PolarHBondContact O-ND2 2.8Å
109	S	98.8	Very high	98.8	Very high	48 Å²	48	19 Å²	19	34%	0.336	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.6	175.4	57.2	0	0	0	0	113.3	N107 H111 N157 E186	N107-S109 WeakPolarHBondContact CB-OG 3.37Å; N107-S109 PolarHBondContact O-N 3.03Å; S109-H111 PolarHBondContact O-NE2 3.15Å; S109-N157 PolarHBondContact O-ND2 3.28Å; S109-E186 VanDerWaalsContact O-CD 3.3Å
110	D	98.9	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-73.2	157.3	178.5	-65.3	-45.1	0	0	0	111.4	I106 N107 P108 R125 N157 E186 I187 R272	I106-D110 HydrophobicContact CB-CB 4.16Å; N107-D110 WeakPolarHBondContact CB-OD2 3.31Å; N107-D110 PolarHBondContact N-OD2 3.01Å; N107-D110 WeakPolarHBondContact O-CB 3.39Å; N107-D110 PolarHBondContact O-N 3.45Å; P108-D110 VanDerWaalsContact C-N 3.34Å; D110-R125 PolarHBondContact O-NH1 2.89Å; D110-N157 WeakPolarHBondContact O-CB 3.29Å; D110-E186 WeakPolarHBondContact OD1-CA 3.29Å; D110-I187 HydrophobicContact CB-CG1 4.03Å; D110-I187 PolarHBondContact OD1-N 3.38Å; D110-R272 IonicContact OD1-NH2 3.85Å; D110-R272 IonicContact OD2-CZ 2.67Å; D110-R272 IonicContact OD2-NH2 2.95Å; D110-R272 PolarHBondContact OD2-NH2 3.24Å
111	H	98.9	Very high	98.8	Very high	10 Å²	10	19 Å²	19	5%	0.046	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.3	-170.4	-57.8	-80.3	0	0	0	111.6	S109 N157 Y159 I175 C179 E186 I187 C188 L189	S109-H111 PolarHBondContact O-NE2 3.15Å; H111-N157 WeakPolarHBondContact CA-O 3.43Å; H111-Y159 HydrophobicContact CB-CD2 4.39Å; H111-Y159 HydrophobicContact CB-CE2 3.69Å; H111-Y159 PolarHBondContact CE1-OH 2.83Å; H111-Y159 VanDerWaalsContact CE1-OH 3.27Å; H111-Y159 AromaticContact CG-CE2 3.81Å; H111-Y159 AromaticContact ND1-CE2 3.26Å; H111-Y159 VanDerWaalsContact ND1-CE2 3.26Å; H111-Y159 WeakPolarHBondContact ND1-CE2 3.35Å; H111-Y159 AromaticContact ND1-CZ 3.43Å; H111-Y159 PolarHBondContact ND1-OH 3.08Å; H111-I175 HydrophobicContact CB-CG2 3.55Å; H111-C179 PolarHBondContact CD2-SG 3.13Å; H111-E186 IonicContact CD2-OE2 2.96Å; H111-E186 IonicContact CE1-OE2 3.27Å; H111-E186 IonicContact NE2-OE2 3.67Å; H111-E186 PolarHBondContact NE2-OE2 3.1Å; H111-I187 PolarHBondContact CD2-O 3.38Å; H111-I187 PolarHBondContact N-O 3.29Å; H111-C188 HydrophobicContact CB-CB 4.12Å; H111-C188 CarbonylContact O-C 3.5Å; H111-C188 WeakPolarHBondContact O-CA 3.27Å; H111-L189 PolarHBondContact O-N 3.28Å
112	L	98.9	Very high	98.8	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.6	177.1	-167.4	153.4	0	0	0	111	M121 N157 F158 Y159 L189 L191	L112-M121 HydrophobicContact CD1-SD 3.88Å; L112-M121 HydrophobicContact CD2-CB 4.25Å; L112-M121 HydrophobicContact CD2-CG 4.22Å; L112-M121 HydrophobicContact CD2-SD 4.07Å; L112-N157 PolarHBondContact N-O 3.12Å; L112-F158 HydrophobicContact CB-CD2 4.3Å; L112-F158 HydrophobicContact CD2-CD2 3.56Å; L112-F158 HydrophobicContact CD2-CE2 3.45Å; L112-F158 VanDerWaalsContact CD2-CE2 3.45Å; L112-F158 WeakPolarHBondContact O-CA 3.4Å; L112-F158 WeakPolarHBondContact O-CD2 3.47Å; L112-Y159 PolarHBondContact O-N 2.96Å; L112-L189 WeakPolarHBondContact CA-O 3.38Å; L112-L189 HydrophobicContact CD1-CB 4.39Å; L112-L189 HydrophobicContact CD1-CD1 3.9Å; L112-L189 HydrophobicContact CG-CB 4.16Å; L112-L191 HydrophobicContact CD1-CD1 4.16Å; L112-L191 HydrophobicContact CD2-CD1 3.76Å; L112-L191 HydrophobicContact CG-CD1 3.67Å
113	I	98.9	Very high	98.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.7	171.9	-165.8	175.1	0	0	0	110.3	N162 Q168 L171 I175 L189 T190 L191	I113-N162 WeakPolarHBondContact CG1-ND2 3.28Å; I113-Q168 HydrophobicContact CD1-CB 3.95Å; I113-Q168 HydrophobicContact CG1-CB 4.03Å; I113-L171 HydrophobicContact CD1-CB 3.71Å; I113-L171 HydrophobicContact CD1-CD1 4.18Å; I113-I175 HydrophobicContact CB-CD1 4.49Å; I113-I175 HydrophobicContact CD1-CD1 4.35Å; I113-L189 PolarHBondContact N-O 3.44Å; I113-T190 HydrophobicContact CG2-CG2 4.03Å; I113-L191 VanDerWaalsContact O-CD1 3.25Å; I113-L191 WeakPolarHBondContact O-CD1 3.45Å; I113-L191 PolarHBondContact O-N 2.6Å
114	T	98.9	Very high	98.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	-179.9	178.6	-169.5	0	0	0	0	112.1	A118 M121 F158 G160 N162 L191	T114-A118 HydrophobicContact CG2-CB 3.91Å; T114-M121 HydrophobicContact CG2-CB 4.4Å; T114-M121 HydrophobicContact CG2-CG 4.2Å; T114-F158 HydrophobicContact CG2-CE2 4Å; T114-F158 HydrophobicContact CG2-CZ 4.07Å; T114-G160 PolarHBondContact N-O 3.28Å; T114-N162 WeakPolarHBondContact O-CB 3.43Å; T114-N162 PolarHBondContact O-N 2.9Å; T114-N162 PolarHBondContact O-ND2 3.09Å; T114-L191 WeakPolarHBondContact OG1-CB 3.31Å
115	S	98.4	Very high	98.8	Very high	14 Å²	14	19.4 Å²	19.4	10%	0.098	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-164	173.1	77.1	0	0	0	0	112	R117 G161 N162	S115-R117 VanDerWaalsContact C-N 3.3Å; S115-R117 PolarHBondContact O-N 3Å; S115-G161 WeakPolarHBondContact O-CA 3.38Å; S115-N162 CarbonylContact C-O 3.58Å; S115-N162 WeakPolarHBondContact CA-O 3.48Å; S115-N162 PolarHBondContact O-N 3.04Å
116	Y	98.7	Very high	98.8	Very high	37 Å²	37	21.9 Å²	21.9	15%	0.145	13%	0.134	C	C	.	.	S	Bend	trans	-71.9	-10.9	-176.6	47.8	-103.7	0	0	0	115.6	H90 A118 M151 N162 V165 H290	H90-Y116 HydrophobicContact CB-CD2 3.98Å; H90-Y116 HydrophobicContact CB-CE2 4.46Å; H90-Y116 AromaticContact CD2-CD2 3.5Å; H90-Y116 AromaticContact CD2-CE2 3.47Å; H90-Y116 VanDerWaalsContact CD2-CE2 3.47Å; H90-Y116 WeakPolarHBondContact CD2-CE2 3.36Å; H90-Y116 AromaticContact CE1-CD2 3.45Å; H90-Y116 VanDerWaalsContact CE1-CD2 3.45Å; H90-Y116 WeakPolarHBondContact CE1-CD2 3.23Å; H90-Y116 AromaticContact CE1-CE2 3.98Å; H90-Y116 AromaticContact CE1-CG 3.87Å; H90-Y116 AromaticContact CG-CD2 3.39Å; H90-Y116 AromaticContact CG-CE2 3.83Å; H90-Y116 AromaticContact ND1-CD2 3.36Å; H90-Y116 WeakPolarHBondContact ND1-CD2 3.5Å; H90-Y116 AromaticContact ND1-CG 3.96Å; H90-Y116 AromaticContact NE2-CD2 3.59Å; H90-Y116 AromaticContact NE2-CE2 3.63Å; Y116-A118 PolarHBondContact O-N 3.33Å; Y116-A118 VanDerWaalsContact O-N 3.08Å; Y116-M151 HydrophobicContact CG-SD 4.4Å; Y116-N162 PolarHBondContact N-O 2.91Å; Y116-V165 HydrophobicContact CE1-CG2 4.15Å; Y116-H290 AromaticContact CZ-CE1 3.88Å; Y116-H290 PolarHBondContact OH-CE1 3.33Å
117	R	98.8	Very high	98.8	Very high	18 Å²	18	22.2 Å²	22.2	7%	0.068	14%	0.136	C	C	.	.			trans	-86.1	62.2	177	-167.6	-176.5	-60.1	-72.5	-8	110.6	H90 L91 C92 S115 H290	H90-R117 HydrophobicContact CB-CB 4.26Å; H90-R117 HydrophobicContact CB-CG 4.31Å; L91-R117 PolarHBondContact O-NH1 3.47Å; C92-R117 HydrophobicContact CB-CG 3.86Å; S115-R117 VanDerWaalsContact C-N 3.3Å; S115-R117 PolarHBondContact O-N 3Å; R117-H290 PolarHBondContact NH1-O 3.37Å; R117-H290 PolarHBondContact NH2-O 3.02Å
118	A	98.8	Very high	98.8	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.008	14%	0.137	C	C	.	.			trans	-108.4	-4.8	-159.6	0	0	0	0	0	116	T114 Y116 G120 M121 C122 F158	T114-A118 HydrophobicContact CG2-CB 3.91Å; Y116-A118 PolarHBondContact O-N 3.33Å; Y116-A118 VanDerWaalsContact O-N 3.08Å; A118-G120 PolarHBondContact O-N 3.08Å; A118-M121 WeakPolarHBondContact O-CB 3.43Å; A118-M121 PolarHBondContact O-N 3.11Å; A118-C122 PolarHBondContact O-N 3.13Å; A118-C122 PolarHBondContact O-SG 3.42Å; A118-F158 HydrophobicContact CB-CZ 4.09Å
119	H	98.9	Very high	98.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.7	-42.2	-168.4	-45	150.5	0	0	0	112.8	M72 E73 M121 C122 Y123 I132 S150	M72-H119 HydrophobicContact CE-CB 3.75Å; E73-H119 WeakPolarHBondContact OE1-CB 3.15Å; E73-H119 IonicContact OE1-CG 2.76Å; E73-H119 IonicContact OE1-ND1 3.58Å; E73-H119 PolarHBondContact OE1-ND1 3.02Å; E73-H119 IonicContact OE2-CE1 2.68Å; E73-H119 IonicContact OE2-CG 2.85Å; E73-H119 IonicContact OE2-ND1 2.71Å; E73-H119 PolarHBondContact OE2-ND1 3.31Å; H119-M121 PolarHBondContact O-N 3.29Å; H119-C122 WeakPolarHBondContact O-CB 3.36Å; H119-C122 PolarHBondContact O-N 2.89Å; H119-Y123 PolarHBondContact O-N 3.13Å; H119-I132 HydrophobicContact CB-CG2 4.38Å; H119-S150 PolarHBondContact NE2-OG 3.46Å
120	G	98.9	Very high	98.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-41	174.8	0	0	0	0	0	113.2	A118 Y123 T124	A118-G120 PolarHBondContact O-N 3.08Å; G120-Y123 PolarHBondContact O-N 3.42Å; G120-T124 WeakPolarHBondContact O-CG2 3.27Å; G120-T124 PolarHBondContact O-N 3.35Å; G120-T124 PolarHBondContact O-OG1 2.87Å
121	M	98.8	Very high	98.8	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-66.6	-39.6	175.5	-64.5	-64.8	176.8	0	0	112.1	C99 L102 L112 T114 A118 H119 Y123 T124 R125 F158 L191	C99-M121 VanDerWaalsContact CA-CE 3.46Å; C99-M121 HydrophobicContact CB-CE 3.59Å; C99-M121 HydrophobicContact CB-CG 4.18Å; C99-M121 HydrophobicContact CB-SD 3.48Å; C99-M121 WeakPolarHBondContact CB-SD 3.32Å; L102-M121 HydrophobicContact CD1-CE 3.69Å; L112-M121 HydrophobicContact CD1-SD 3.88Å; L112-M121 HydrophobicContact CD2-CB 4.25Å; L112-M121 HydrophobicContact CD2-CG 4.22Å; L112-M121 HydrophobicContact CD2-SD 4.07Å; T114-M121 HydrophobicContact CG2-CB 4.4Å; T114-M121 HydrophobicContact CG2-CG 4.2Å; A118-M121 WeakPolarHBondContact O-CB 3.43Å; A118-M121 PolarHBondContact O-N 3.11Å; H119-M121 PolarHBondContact O-N 3.29Å; M121-Y123 VanDerWaalsContact C-N 3.31Å; M121-Y123 PolarHBondContact O-N 3Å; M121-T124 VanDerWaalsContact CA-OG1 3.29Å; M121-T124 WeakPolarHBondContact CA-OG1 3.25Å; M121-T124 PolarHBondContact O-N 3.25Å; M121-T124 PolarHBondContact O-OG1 3.31Å; M121-T124 VanDerWaalsContact O-OG1 3.08Å; M121-R125 VanDerWaalsContact O-CB 3.26Å; M121-R125 WeakPolarHBondContact O-CB 3.43Å; M121-R125 VanDerWaalsContact O-CG 3.26Å; M121-R125 WeakPolarHBondContact O-CG 3.46Å; M121-R125 PolarHBondContact O-N 2.99Å; M121-F158 HydrophobicContact CB-CE2 3.79Å; M121-F158 HydrophobicContact CB-CZ 4.04Å; M121-L191 HydrophobicContact CE-CD2 3.41Å; M121-L191 VanDerWaalsContact CE-CD2 3.41Å
122	C	98.8	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.6	-45.6	175.2	-66.6	0	0	0	0	111.3	A118 H119 G126 L127 I132 M153 F158	A118-C122 PolarHBondContact O-N 3.13Å; A118-C122 PolarHBondContact O-SG 3.42Å; H119-C122 WeakPolarHBondContact O-CB 3.36Å; H119-C122 PolarHBondContact O-N 2.89Å; C122-G126 PolarHBondContact O-N 3.42Å; C122-L127 HydrophobicContact CB-CD1 4.12Å; C122-L127 WeakPolarHBondContact O-CB 3.34Å; C122-L127 PolarHBondContact O-N 3.03Å; C122-I132 HydrophobicContact CB-CD1 3.83Å; C122-I132 HydrophobicContact CB-CG1 4.17Å; C122-M153 VanDerWaalsContact SG-CB 3.56Å; C122-F158 WeakPolarHBondContact SG-CE1 3.4Å
123	Y	98.9	Very high	98.8	Very high	34 Å²	34	20.8 Å²	20.8	13%	0.133	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-49.4	178.9	173.4	-104.9	0	0	0	111.8	M65 T68 V69 H119 G120 M121 R125 G126 L127 V129	M65-Y123 HydrophobicContact CB-CE1 4.2Å; M65-Y123 HydrophobicContact CG-CE1 4.21Å; T68-Y123 HydrophobicContact CG2-CD1 4.49Å; T68-Y123 HydrophobicContact CG2-CD2 4.2Å; T68-Y123 HydrophobicContact CG2-CE1 3.92Å; T68-Y123 HydrophobicContact CG2-CE2 3.59Å; T68-Y123 VanDerWaalsContact CG2-CZ 3.43Å; V69-Y123 HydrophobicContact CG2-CD1 3.69Å; V69-Y123 HydrophobicContact CG2-CE1 4.4Å; V69-Y123 HydrophobicContact CG2-CG 4.39Å; H119-Y123 PolarHBondContact O-N 3.13Å; G120-Y123 PolarHBondContact O-N 3.42Å; M121-Y123 VanDerWaalsContact C-N 3.31Å; M121-Y123 PolarHBondContact O-N 3Å; Y123-R125 VanDerWaalsContact C-N 3.31Å; Y123-R125 PolarHBondContact O-N 2.91Å; Y123-G126 WeakPolarHBondContact O-CA 3.49Å; Y123-G126 PolarHBondContact O-N 2.91Å; Y123-L127 WeakPolarHBondContact CA-O 3.35Å; Y123-L127 WeakPolarHBondContact CD2-O 3.47Å; Y123-V129 HydrophobicContact CD2-CG2 3.96Å; Y123-V129 HydrophobicContact CE2-CG2 3.95Å
124	T	98.9	Very high	98.8	Very high	11 Å²	11	20.7 Å²	20.7	7%	0.067	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-33.8	-178.4	48.8	0	0	0	0	112.6	M65 C99 V100 E103 G120 M121 G126	M65-T124 HydrophobicContact CE-CG2 3.74Å; C99-T124 HydrophobicContact CB-CG2 4.21Å; V100-T124 HydrophobicContact CG2-CG2 3.95Å; E103-T124 HydrophobicContact CB-CG2 4.48Å; E103-T124 VanDerWaalsContact CD-O 3.3Å; G120-T124 WeakPolarHBondContact O-CG2 3.27Å; G120-T124 PolarHBondContact O-N 3.35Å; G120-T124 PolarHBondContact O-OG1 2.87Å; M121-T124 VanDerWaalsContact CA-OG1 3.29Å; M121-T124 WeakPolarHBondContact CA-OG1 3.25Å; M121-T124 PolarHBondContact O-N 3.25Å; M121-T124 PolarHBondContact O-OG1 3.31Å; M121-T124 VanDerWaalsContact O-OG1 3.08Å; T124-G126 PolarHBondContact O-N 3.25Å
125	R	98.8	Very high	98.8	Very high	21 Å²	21	20.7 Å²	20.7	8%	0.079	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	6	171.5	-65.7	-83.7	87.7	174.9	0.8	114.3	E103 N107 D110 M121 Y123 T155 F158	E103-R125 IonicContact OE1-CZ 2.8Å; E103-R125 IonicContact OE1-NE 3.8Å; E103-R125 IonicContact OE1-NH2 4Å; E103-R125 PolarHBondContact OE1-NH2 3.2Å; E103-R125 IonicContact OE2-CZ 2.63Å; E103-R125 IonicContact OE2-NE 2.71Å; E103-R125 PolarHBondContact OE2-NE 3.21Å; E103-R125 IonicContact OE2-NH2 3.74Å; E103-R125 PolarHBondContact OE2-NH2 2.92Å; N107-R125 PolarHBondContact O-NH2 3.45Å; D110-R125 PolarHBondContact O-NH1 2.89Å; M121-R125 VanDerWaalsContact O-CB 3.26Å; M121-R125 WeakPolarHBondContact O-CB 3.43Å; M121-R125 VanDerWaalsContact O-CG 3.26Å; M121-R125 WeakPolarHBondContact O-CG 3.46Å; M121-R125 PolarHBondContact O-N 2.99Å; Y123-R125 VanDerWaalsContact C-N 3.31Å; Y123-R125 PolarHBondContact O-N 2.91Å; R125-T155 HydrophobicContact CB-CG2 3.72Å; R125-T155 WeakPolarHBondContact O-CG2 3.39Å; R125-F158 HydrophobicContact CB-CB 3.84Å; R125-F158 HydrophobicContact CB-CG 4.23Å; R125-F158 HydrophobicContact CG-CB 3.88Å; R125-F158 HydrophobicContact CG-CD2 4.05Å; R125-F158 HydrophobicContact CG-CG 4.1Å
126	G	98.4	Very high	98.8	Very high	60 Å²	60	20.4 Å²	20.4	62%	0.619	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	107.5	4.6	162.9	0	0	0	0	0	116.6	C122 Y123 T124	C122-G126 PolarHBondContact O-N 3.42Å; Y123-G126 WeakPolarHBondContact O-CA 3.49Å; Y123-G126 PolarHBondContact O-N 2.91Å; T124-G126 PolarHBondContact O-N 3.25Å
127	L	98.8	Very high	98.8	Very high	22 Å²	22	19.1 Å²	19.1	12%	0.115	11%	0.11	C	C	.	.			trans	-71.3	139.6	168	-67.3	-178.3	0	0	0	110.5	C122 Y123 I132 C143 T155	C122-L127 HydrophobicContact CB-CD1 4.12Å; C122-L127 WeakPolarHBondContact O-CB 3.34Å; C122-L127 PolarHBondContact O-N 3.03Å; Y123-L127 WeakPolarHBondContact CA-O 3.35Å; Y123-L127 WeakPolarHBondContact CD2-O 3.47Å; L127-I132 HydrophobicContact CB-CD1 4.05Å; L127-I132 HydrophobicContact CB-CG1 3.94Å; L127-I132 HydrophobicContact CD1-CG1 4.44Å; L127-C143 HydrophobicContact CD1-CB 3.73Å; L127-C143 HydrophobicContact CD2-CB 4.16Å; L127-T155 HydrophobicContact CG-CG2 4.07Å
128	S	98.8	Very high	98.8	Very high	65 Å²	65	19.5 Å²	19.5	46%	0.455	12%	0.119	S	C	.	.			trans	-71.7	150.7	172.8	66.4	0	0	0	0	111.2	R130 S131 I132	S128-R130 PolarHBondContact O-N 2.73Å; S128-S131 PolarHBondContact O-N 3.47Å; S128-S131 WeakPolarHBondContact OG-CB 3.29Å; S128-S131 PolarHBondContact OG-N 3.05Å; S128-I132 WeakPolarHBondContact O-CG1 3.34Å; S128-I132 PolarHBondContact O-N 2.89Å; S128-I132 VanDerWaalsContact O-N 3.07Å
129	V	98.9	Very high	98.8	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-53.9	-39.5	172.2	177.4	0	0	0	0	111.1	T68 M72 Y123 S131 I132 L133 I344 A347	T68-V129 HydrophobicContact CG2-CG2 3.45Å; T68-V129 VanDerWaalsContact CG2-CG2 3.45Å; M72-V129 HydrophobicContact CB-CG1 4.34Å; M72-V129 HydrophobicContact CG-CG1 4.08Å; M72-V129 HydrophobicContact SD-CB 4.47Å; M72-V129 HydrophobicContact SD-CG1 4.15Å; M72-V129 HydrophobicContact SD-CG2 4.25Å; Y123-V129 HydrophobicContact CD2-CG2 3.96Å; Y123-V129 HydrophobicContact CE2-CG2 3.95Å; V129-S131 PolarHBondContact O-N 3.27Å; V129-I132 PolarHBondContact O-N 2.84Å; V129-L133 HydrophobicContact CG1-CD1 3.81Å; V129-L133 HydrophobicContact CG1-CG 3.95Å; V129-L133 WeakPolarHBondContact O-CB 3.42Å; V129-L133 WeakPolarHBondContact O-CG 3.27Å; V129-L133 PolarHBondContact O-N 3.23Å; V129-I344 HydrophobicContact CB-CD1 4.28Å; V129-I344 HydrophobicContact CG1-CD1 3.55Å; V129-I344 HydrophobicContact CG2-CD1 3.91Å; V129-A347 HydrophobicContact CB-CB 4.22Å; V129-A347 HydrophobicContact CG1-CB 3.71Å
130	R	98.8	Very high	98.8	Very high	122 Å²	122	28 Å²	28	46%	0.46	15%	0.151	S	C	.	.	H	α-helix	trans	-54.9	-53.9	175.6	-177.2	177.9	-75.5	175.4	-2.5	110.7	S128 I132 L133 T134 A347 F350	S128-R130 PolarHBondContact O-N 2.73Å; R130-I132 VanDerWaalsContact C-N 3.31Å; R130-I132 PolarHBondContact O-N 3.08Å; R130-L133 PolarHBondContact O-N 3.36Å; R130-T134 VanDerWaalsContact O-CB 3.24Å; R130-T134 WeakPolarHBondContact O-CB 3.42Å; R130-T134 PolarHBondContact O-N 3.46Å; R130-T134 PolarHBondContact O-OG1 3.36Å; R130-A347 HydrophobicContact CB-CB 4.18Å; R130-F350 VanDerWaalsContact CD-CD1 3.5Å; R130-F350 HydrophobicContact CG-CB 4.2Å; R130-F350 HydrophobicContact CG-CD1 3.35Å; R130-F350 HydrophobicContact CG-CE1 3.9Å; R130-F350 HydrophobicContact CG-CG 3.88Å
131	S	98.8	Very high	98.8	Very high	21 Å²	21	29.6 Å²	29.6	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-38.5	-179.1	-169.2	0	0	0	0	113	S128 V129 E135 C143	S128-S131 PolarHBondContact O-N 3.47Å; S128-S131 WeakPolarHBondContact OG-CB 3.29Å; S128-S131 PolarHBondContact OG-N 3.05Å; V129-S131 PolarHBondContact O-N 3.27Å; S131-E135 PolarHBondContact O-N 2.96Å; S131-E135 VanDerWaalsContact O-N 3.1Å; S131-C143 PolarHBondContact O-N 3.13Å; S131-C143 WeakPolarHBondContact OG-CA 3.26Å; S131-C143 VanDerWaalsContact OG-CB 3.29Å; S131-C143 WeakPolarHBondContact OG-CB 3.35Å; S131-C143 PolarHBondContact OG-N 2.84Å
132	I	98.9	Very high	98.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-53.9	177.8	-64.5	166.5	0	0	0	110.8	M72 H119 C122 L127 S128 V129 R130 T134 E135 L136 M153	M72-I132 HydrophobicContact CE-CD1 4.26Å; M72-I132 HydrophobicContact CE-CG2 4.49Å; M72-I132 HydrophobicContact SD-CB 4.07Å; M72-I132 HydrophobicContact SD-CD1 3.84Å; M72-I132 HydrophobicContact SD-CG2 3.74Å; H119-I132 HydrophobicContact CB-CG2 4.38Å; C122-I132 HydrophobicContact CB-CD1 3.83Å; C122-I132 HydrophobicContact CB-CG1 4.17Å; L127-I132 HydrophobicContact CB-CD1 4.05Å; L127-I132 HydrophobicContact CB-CG1 3.94Å; L127-I132 HydrophobicContact CD1-CG1 4.44Å; S128-I132 WeakPolarHBondContact O-CG1 3.34Å; S128-I132 PolarHBondContact O-N 2.89Å; S128-I132 VanDerWaalsContact O-N 3.07Å; V129-I132 PolarHBondContact O-N 2.84Å; R130-I132 VanDerWaalsContact C-N 3.31Å; R130-I132 PolarHBondContact O-N 3.08Å; I132-T134 VanDerWaalsContact C-N 3.29Å; I132-T134 PolarHBondContact O-N 3.36Å; I132-E135 WeakPolarHBondContact O-CB 3.47Å; I132-E135 PolarHBondContact O-N 2.64Å; I132-E135 VanDerWaalsContact O-N 3.13Å; I132-L136 HydrophobicContact CG2-CD1 4.48Å; I132-L136 WeakPolarHBondContact O-CG 3.2Å; I132-L136 PolarHBondContact O-N 3.09Å; I132-M153 HydrophobicContact CB-SD 4.4Å; I132-M153 HydrophobicContact CG1-SD 4.33Å; I132-M153 HydrophobicContact CG2-CE 4.12Å; I132-M153 HydrophobicContact CG2-SD 3.93Å
133	L	98.9	Very high	98.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-37	-179.3	-68.2	-174.5	0	0	0	111.9	M72 K75 V129 R130 E135 L136 T137 A347 A348 A351	M72-L133 HydrophobicContact CG-CD2 3.99Å; M72-L133 HydrophobicContact CG-CG 4.44Å; K75-L133 HydrophobicContact CG-CD1 4.06Å; V129-L133 HydrophobicContact CG1-CD1 3.81Å; V129-L133 HydrophobicContact CG1-CG 3.95Å; V129-L133 WeakPolarHBondContact O-CB 3.42Å; V129-L133 WeakPolarHBondContact O-CG 3.27Å; V129-L133 PolarHBondContact O-N 3.23Å; R130-L133 PolarHBondContact O-N 3.36Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 2.91Å; L133-L136 HydrophobicContact CD2-CD1 4Å; L133-L136 WeakPolarHBondContact O-CB 3.42Å; L133-L136 PolarHBondContact O-N 3Å; L133-T137 PolarHBondContact O-N 3.43Å; L133-T137 PolarHBondContact O-OG1 2.87Å; L133-A347 HydrophobicContact CD1-CB 4.05Å; L133-A348 HydrophobicContact CD1-CB 4.22Å; L133-A351 HydrophobicContact CB-CB 3.81Å
134	T	98.9	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-33.5	176.2	-59.2	0	0	0	0	112.1	R130 I132 T137 G138 R139 G142 F350 D354	R130-T134 VanDerWaalsContact O-CB 3.24Å; R130-T134 WeakPolarHBondContact O-CB 3.42Å; R130-T134 PolarHBondContact O-N 3.46Å; R130-T134 PolarHBondContact O-OG1 3.36Å; I132-T134 VanDerWaalsContact C-N 3.29Å; I132-T134 PolarHBondContact O-N 3.36Å; T134-T137 PolarHBondContact O-OG1 2.84Å; T134-G138 PolarHBondContact O-N 2.72Å; T134-R139 HydrophobicContact CG2-CB 3.65Å; T134-R139 HydrophobicContact CG2-CG 4.42Å; T134-R139 PolarHBondContact O-N 2.91Å; T134-G142 VanDerWaalsContact CG2-N 3.28Å; T134-F350 HydrophobicContact CG2-CD1 4.5Å; T134-F350 HydrophobicContact CG2-CE1 4.07Å; T134-F350 VanDerWaalsContact OG1-CD1 3.31Å; T134-F350 WeakPolarHBondContact OG1-CD1 3.37Å; T134-D354 HydrophobicContact CG2-CB 4.29Å
135	E	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-69.3	-41.3	171.5	-173.3	61.5	-147.8	0	0	111.5	S131 I132 L133 T137 G138 G142 C143 A144 K145 G146 K147 G148 G149 M153	S131-E135 PolarHBondContact O-N 2.96Å; S131-E135 VanDerWaalsContact O-N 3.1Å; I132-E135 WeakPolarHBondContact O-CB 3.47Å; I132-E135 PolarHBondContact O-N 2.64Å; I132-E135 VanDerWaalsContact O-N 3.13Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 2.91Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 2.81Å; E135-G138 PolarHBondContact O-N 3.05Å; E135-G142 VanDerWaalsContact OE2-C 3.27Å; E135-G142 WeakPolarHBondContact OE2-CA 3.35Å; E135-C143 PolarHBondContact OE2-N 3.15Å; E135-A144 VanDerWaalsContact OE2-C 3.26Å; E135-A144 WeakPolarHBondContact OE2-CA 3.45Å; E135-A144 PolarHBondContact OE2-N 2.89Å; E135-K145 PolarHBondContact OE2-N 3.1Å; E135-G146 VanDerWaalsContact OE1-CA 3.3Å; E135-G146 WeakPolarHBondContact OE1-CA 3.41Å; E135-G146 PolarHBondContact OE1-N 3.3Å; E135-G146 PolarHBondContact OE2-N 3.48Å; E135-K147 PolarHBondContact OE1-N 2.84Å; E135-G148 WeakPolarHBondContact OE1-CA 3.46Å; E135-G148 PolarHBondContact OE1-N 3.43Å; E135-G149 PolarHBondContact OE1-N 3.09Å; E135-M153 HydrophobicContact CB-CE 3.95Å; E135-M153 HydrophobicContact CB-SD 4.47Å; E135-M153 HydrophobicContact CG-CE 3.93Å; E135-M153 HydrophobicContact CG-CG 4.16Å; E135-M153 HydrophobicContact CG-SD 4.48Å
136	L	98.9	Very high	98.7	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-36.8	176.7	-65.5	178.7	0	0	0	112.6	A76 I85 I132 L133 G138 S150 M153	A76-L136 HydrophobicContact CB-CD1 3.9Å; I85-L136 HydrophobicContact CD1-CB 3.69Å; I85-L136 HydrophobicContact CD1-CD1 4.07Å; I85-L136 HydrophobicContact CD1-CG 4.47Å; I85-L136 HydrophobicContact CG1-CB 3.91Å; I85-L136 HydrophobicContact CG2-CB 4.37Å; I132-L136 HydrophobicContact CG2-CD1 4.48Å; I132-L136 WeakPolarHBondContact O-CG 3.2Å; I132-L136 PolarHBondContact O-N 3.09Å; L133-L136 HydrophobicContact CD2-CD1 4Å; L133-L136 WeakPolarHBondContact O-CB 3.42Å; L133-L136 PolarHBondContact O-N 3Å; L136-G138 PolarHBondContact O-N 3.14Å; L136-S150 VanDerWaalsContact CD2-CB 3.5Å; L136-M153 HydrophobicContact CD2-CE 3.53Å; L136-M153 HydrophobicContact CG-CE 3.86Å
137	T	98.9	Very high	98.7	Very high	10 Å²	10	37.4 Å²	37.4	6%	0.061	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	4.4	176.7	57.9	0	0	0	0	113.6	L79 F84 I85 L133 T134 E135 R139 A351	L79-T137 HydrophobicContact CD1-CG2 4.3Å; F84-T137 HydrophobicContact CB-CG2 4.09Å; F84-T137 WeakPolarHBondContact O-CA 3.46Å; I85-T137 HydrophobicContact CG1-CG2 4.03Å; L133-T137 PolarHBondContact O-N 3.43Å; L133-T137 PolarHBondContact O-OG1 2.87Å; T134-T137 PolarHBondContact O-OG1 2.84Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 2.81Å; T137-R139 WeakPolarHBondContact O-CD 3.42Å; T137-R139 PolarHBondContact O-NE 2.81Å; T137-R139 VanDerWaalsContact O-NE 3.15Å; T137-R139 WeakPolarHBondContact OG1-CG 3.46Å; T137-A351 WeakPolarHBondContact CB-O 3.32Å; T137-A351 HydrophobicContact CG2-CB 4.2Å; T137-A351 PolarHBondContact OG1-O 3Å
138	G	98.8	Very high	98.7	Very high	26 Å²	26	37.3 Å²	37.3	27%	0.268	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	31.3	173.7	0	0	0	0	0	114.3	T134 E135 L136 P357	T134-G138 PolarHBondContact O-N 2.72Å; E135-G138 PolarHBondContact O-N 3.05Å; L136-G138 PolarHBondContact O-N 3.14Å; G138-P357 WeakPolarHBondContact O-CD 3.37Å
139	R	98.8	Very high	98.7	Very high	35 Å²	35	35.2 Å²	35.2	13%	0.132	20%	0.196	C	C	.	.			trans	-101.4	161.1	-175.5	-47.4	-56.4	179.3	78.5	0.1	112.4	T134 T137 G141 G142 K145 G146 A351 T352 D354	T134-R139 HydrophobicContact CG2-CB 3.65Å; T134-R139 HydrophobicContact CG2-CG 4.42Å; T134-R139 PolarHBondContact O-N 2.91Å; T137-R139 WeakPolarHBondContact O-CD 3.42Å; T137-R139 PolarHBondContact O-NE 2.81Å; T137-R139 VanDerWaalsContact O-NE 3.15Å; T137-R139 WeakPolarHBondContact OG1-CG 3.46Å; R139-G141 PolarHBondContact O-N 3.01Å; R139-G142 PolarHBondContact O-N 3.43Å; R139-K145 CarbonylContact O-C 3.53Å; R139-G146 PolarHBondContact O-N 3.21Å; R139-A351 WeakPolarHBondContact CG-O 3.44Å; R139-A351 PolarHBondContact NH1-O 3.15Å; R139-T352 PolarHBondContact NH1-O 2.85Å; R139-T352 PolarHBondContact NH2-O 3.43Å; R139-D354 HydrophobicContact CB-CB 4.07Å; R139-D354 WeakPolarHBondContact CB-OD2 3.48Å; R139-D354 WeakPolarHBondContact CD-O 3.31Å; R139-D354 HydrophobicContact CG-CB 4.42Å; R139-D354 VanDerWaalsContact CG-O 3.23Å; R139-D354 WeakPolarHBondContact CG-O 3.47Å; R139-D354 PolarHBondContact NH1-O 2.79Å
140	R	98.3	Very high	98.7	Very high	145 Å²	145	35.5 Å²	35.5	55%	0.547	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.6	-173.2	71.9	179.1	-177.6	-175.1	-2.6	114	G142 K145 D354 P355 P357	R140-G142 PolarHBondContact O-N 3.36Å; R140-K145 WeakPolarHBondContact O-CA 3.26Å; R140-D354 WeakPolarHBondContact CG-OD2 3.49Å; R140-D354 PolarHBondContact N-OD2 3.45Å; R140-D354 IonicContact NE-OD1 3.76Å; R140-P355 HydrophobicContact CG-CG 4.44Å; R140-P355 WeakPolarHBondContact CG-O 3.36Å; R140-P355 PolarHBondContact N-O 3.01Å; R140-P355 VanDerWaalsContact NE-CG 3.35Å; R140-P357 HydrophobicContact CB-CG 4.36Å
141	G	98.3	Very high	98.7	Very high	34 Å²	34	31.4 Å²	31.4	35%	0.351	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	1.4	178.1	0	0	0	0	0	114.2	R139 D354	R139-G141 PolarHBondContact O-N 3.01Å; G141-D354 WeakPolarHBondContact CA-OD2 3.16Å; G141-D354 PolarHBondContact N-OD2 3.22Å
142	G	98.7	Very high	98.7	Very high	7 Å²	7	33.3 Å²	33.3	7%	0.072	19%	0.191	C	C	.	.	S	Bend	trans	-64.9	156.4	175.3	0	0	0	0	0	111.9	T134 E135 R139 R140 A144 K145	T134-G142 VanDerWaalsContact CG2-N 3.28Å; E135-G142 VanDerWaalsContact OE2-C 3.27Å; E135-G142 WeakPolarHBondContact OE2-CA 3.35Å; R139-G142 PolarHBondContact O-N 3.43Å; R140-G142 PolarHBondContact O-N 3.36Å; G142-A144 PolarHBondContact O-N 2.85Å; G142-A144 VanDerWaalsContact O-N 3.1Å; G142-K145 PolarHBondContact O-N 2.94Å
143	C	98.6	Very high	98.7	Very high	38 Å²	38	33.4 Å²	33.4	26%	0.257	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.5	-179.6	61.6	0	0	0	0	114.1	L127 S131 E135 M153	L127-C143 HydrophobicContact CD1-CB 3.73Å; L127-C143 HydrophobicContact CD2-CB 4.16Å; S131-C143 PolarHBondContact O-N 3.13Å; S131-C143 WeakPolarHBondContact OG-CA 3.26Å; S131-C143 VanDerWaalsContact OG-CB 3.29Å; S131-C143 WeakPolarHBondContact OG-CB 3.35Å; S131-C143 PolarHBondContact OG-N 2.84Å; E135-C143 PolarHBondContact OE2-N 3.15Å; C143-M153 VanDerWaalsContact SG-CG 3.58Å
144	A	98.6	Very high	98.7	Very high	29 Å²	29	38.9 Å²	38.9	24%	0.24	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	24.3	173.6	0	0	0	0	0	111.7	E135 G142 G146 K147	E135-A144 VanDerWaalsContact OE2-C 3.26Å; E135-A144 WeakPolarHBondContact OE2-CA 3.45Å; E135-A144 PolarHBondContact OE2-N 2.89Å; G142-A144 PolarHBondContact O-N 2.85Å; G142-A144 VanDerWaalsContact O-N 3.1Å; A144-G146 PolarHBondContact O-N 2.9Å; A144-K147 VanDerWaalsContact O-CB 3.31Å; A144-K147 WeakPolarHBondContact O-CB 3.37Å; A144-K147 PolarHBondContact O-N 3.27Å
145	K	98.6	Very high	98.7	Very high	93 Å²	93	41 Å²	41	40%	0.404	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	34.8	179.5	-51.5	177.7	-175.8	176	0	113.2	E135 R139 R140 G142 K147 P357 H365	E135-K145 PolarHBondContact OE2-N 3.1Å; R139-K145 CarbonylContact O-C 3.53Å; R140-K145 WeakPolarHBondContact O-CA 3.26Å; G142-K145 PolarHBondContact O-N 2.94Å; K145-K147 PolarHBondContact O-N 3.21Å; K145-P357 WeakPolarHBondContact O-CG 3.45Å; K145-H365 PolarHBondContact NZ-NE2 3.35Å
146	G	98.5	Very high	98.7	Very high	24 Å²	24	48.6 Å²	48.6	25%	0.247	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	8.2	-178.9	0	0	0	0	0	114.8	E135 R139 A144	E135-G146 VanDerWaalsContact OE1-CA 3.3Å; E135-G146 WeakPolarHBondContact OE1-CA 3.41Å; E135-G146 PolarHBondContact OE1-N 3.3Å; E135-G146 PolarHBondContact OE2-N 3.48Å; R139-G146 PolarHBondContact O-N 3.21Å; A144-G146 PolarHBondContact O-N 2.9Å
147	K	98.7	Very high	98.7	Very high	104 Å²	104	49 Å²	49	45%	0.452	26%	0.261	S	S	.	.	S	Bend	trans	-83.1	-25.1	177.6	-65.1	-74.3	-178.9	77	0	112.6	E135 A144 K145 E361 L362	E135-K147 PolarHBondContact OE1-N 2.84Å; A144-K147 VanDerWaalsContact O-CB 3.31Å; A144-K147 WeakPolarHBondContact O-CB 3.37Å; A144-K147 PolarHBondContact O-N 3.27Å; K145-K147 PolarHBondContact O-N 3.21Å; K147-E361 PolarHBondContact NZ-O 3.29Å; K147-L362 PolarHBondContact NZ-O 2.91Å
148	G	98.6	Very high	98.7	Very high	20 Å²	20	48.7 Å²	48.7	21%	0.206	26%	0.259	C	S	.	.	S	Bend	trans	-99.6	-41.8	-170.8	0	0	0	0	0	114.1	E135	E135-G148 WeakPolarHBondContact OE1-CA 3.46Å; E135-G148 PolarHBondContact OE1-N 3.43Å
149	G	98.8	Very high	98.7	Very high	20 Å²	20	51.5 Å²	51.5	21%	0.206	26%	0.262	C	S	.	.			trans	66.8	-154.5	-172.5	0	0	0	0	0	113	E135 M151 M153	E135-G149 PolarHBondContact OE1-N 3.09Å; G149-M151 VanDerWaalsContact C-N 3.34Å; G149-M151 PolarHBondContact O-N 3.37Å; G149-M153 WeakPolarHBondContact O-CE 3.39Å
150	S	98.8	Very high	98.5	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.063	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.4	-172.9	175.5	0	0	0	0	114.4	F88 H119 L136	F88-S150 WeakPolarHBondContact O-CB 3.43Å; H119-S150 PolarHBondContact NE2-OG 3.46Å; L136-S150 VanDerWaalsContact CD2-CB 3.5Å
151	M	98.8	Very high	98.4	Very high	35 Å²	35	43 Å²	43	17%	0.172	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.5	-168.5	-56.5	-166.9	-65	0	0	113.2	F88 Y116 G149 G161	F88-M151 HydrophobicContact CB-CE 4.36Å; F88-M151 HydrophobicContact CB-CG 4.09Å; F88-M151 HydrophobicContact CB-SD 3.86Å; F88-M151 HydrophobicContact CD2-CE 3.59Å; F88-M151 HydrophobicContact CD2-SD 3.85Å; F88-M151 HydrophobicContact CE2-CE 4.28Å; F88-M151 HydrophobicContact CG-CE 4.27Å; F88-M151 HydrophobicContact CG-SD 3.95Å; Y116-M151 HydrophobicContact CG-SD 4.4Å; G149-M151 VanDerWaalsContact C-N 3.34Å; G149-M151 PolarHBondContact O-N 3.37Å; M151-G161 CarbonylContact O-C 3.6Å; M151-G161 WeakPolarHBondContact O-CA 3.21Å
152	H	98.9	Very high	98.4	Very high	62 Å²	62	42.4 Å²	42.4	29%	0.287	22%	0.219	S	C	.	.			trans	-130.8	74.7	-165.8	-57.4	-56.2	0	0	0	111.9	Y154 G161	H152-Y154 HydrophobicContact CB-CE2 4.11Å; H152-G161 PolarHBondContact ND1-O 3.23Å
153	M	98.8	Very high	98.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.227	C	C	.	.			trans	-117.9	136	175.9	-59.4	-171.4	-167.6	0	0	109.7	C122 I132 E135 L136 C143 G149 F158 G160 G161	C122-M153 VanDerWaalsContact SG-CB 3.56Å; I132-M153 HydrophobicContact CB-SD 4.4Å; I132-M153 HydrophobicContact CG1-SD 4.33Å; I132-M153 HydrophobicContact CG2-CE 4.12Å; I132-M153 HydrophobicContact CG2-SD 3.93Å; E135-M153 HydrophobicContact CB-CE 3.95Å; E135-M153 HydrophobicContact CB-SD 4.47Å; E135-M153 HydrophobicContact CG-CE 3.93Å; E135-M153 HydrophobicContact CG-CG 4.16Å; E135-M153 HydrophobicContact CG-SD 4.48Å; L136-M153 HydrophobicContact CD2-CE 3.53Å; L136-M153 HydrophobicContact CG-CE 3.86Å; C143-M153 VanDerWaalsContact SG-CG 3.58Å; G149-M153 WeakPolarHBondContact O-CE 3.39Å; M153-F158 VanDerWaalsContact O-CE1 3.23Å; M153-F158 WeakPolarHBondContact O-CE1 3.41Å; M153-G160 VanDerWaalsContact O-CA 3.22Å; M153-G160 WeakPolarHBondContact O-CA 3.47Å; M153-G161 PolarHBondContact O-N 3.23Å
154	Y	98.8	Very high	98.4	Very high	116 Å²	116	47.3 Å²	47.3	46%	0.455	25%	0.245	S	C	.	.			trans	-131	149.2	-175.2	-54.8	-96.7	0	0	0	109.8	H152	H152-Y154 HydrophobicContact CB-CE2 4.11Å
155	T	98.7	Very high	98.4	Very high	43 Å²	43	48.6 Å²	48.6	26%	0.264	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-151.1	-178	170.7	-171.7	0	0	0	0	109.9	R125 L127 N157 F158	R125-T155 HydrophobicContact CB-CG2 3.72Å; R125-T155 WeakPolarHBondContact O-CG2 3.39Å; L127-T155 HydrophobicContact CG-CG2 4.07Å; T155-N157 PolarHBondContact O-N 2.63Å; T155-N157 VanDerWaalsContact O-N 3.13Å; T155-F158 HydrophobicContact CG2-CB 3.56Å; T155-F158 HydrophobicContact CG2-CD1 4.11Å; T155-F158 HydrophobicContact CG2-CG 4.22Å; T155-F158 PolarHBondContact N-O 2.71Å; T155-F158 PolarHBondContact O-N 2.82Å; T155-F158 VanDerWaalsContact O-O 3.05Å
156	K	98.4	Very high	98.4	Very high	161 Å²	161	44.1 Å²	44.1	70%	0.7	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	121.9	179.9	-178.3	60.6	-179.9	168	0	110.4	F158	K156-F158 PolarHBondContact O-N 2.85Å
157	N	98.8	Very high	98.4	Very high	18 Å²	18	44.2 Å²	44.2	10%	0.096	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	19.6	-179.2	-59.9	-9	0	0	0	114.7	P108 S109 D110 H111 L112 T155	P108-N157 PolarHBondContact O-ND2 2.8Å; S109-N157 PolarHBondContact O-ND2 3.28Å; D110-N157 WeakPolarHBondContact O-CB 3.29Å; H111-N157 WeakPolarHBondContact CA-O 3.43Å; L112-N157 PolarHBondContact N-O 3.12Å; T155-N157 PolarHBondContact O-N 2.63Å; T155-N157 VanDerWaalsContact O-N 3.13Å
158	F	98.9	Very high	98.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	109	170	177	-112.4	0	0	0	109.5	L112 T114 A118 M121 C122 R125 M153 T155 K156 G160	L112-F158 HydrophobicContact CB-CD2 4.3Å; L112-F158 HydrophobicContact CD2-CD2 3.56Å; L112-F158 HydrophobicContact CD2-CE2 3.45Å; L112-F158 VanDerWaalsContact CD2-CE2 3.45Å; L112-F158 WeakPolarHBondContact O-CA 3.4Å; L112-F158 WeakPolarHBondContact O-CD2 3.47Å; T114-F158 HydrophobicContact CG2-CE2 4Å; T114-F158 HydrophobicContact CG2-CZ 4.07Å; A118-F158 HydrophobicContact CB-CZ 4.09Å; M121-F158 HydrophobicContact CB-CE2 3.79Å; M121-F158 HydrophobicContact CB-CZ 4.04Å; C122-F158 WeakPolarHBondContact SG-CE1 3.4Å; R125-F158 HydrophobicContact CB-CB 3.84Å; R125-F158 HydrophobicContact CB-CG 4.23Å; R125-F158 HydrophobicContact CG-CB 3.88Å; R125-F158 HydrophobicContact CG-CD2 4.05Å; R125-F158 HydrophobicContact CG-CG 4.1Å; M153-F158 VanDerWaalsContact O-CE1 3.23Å; M153-F158 WeakPolarHBondContact O-CE1 3.41Å; T155-F158 HydrophobicContact CG2-CB 3.56Å; T155-F158 HydrophobicContact CG2-CD1 4.11Å; T155-F158 HydrophobicContact CG2-CG 4.22Å; T155-F158 PolarHBondContact N-O 2.71Å; T155-F158 PolarHBondContact O-N 2.82Å; T155-F158 VanDerWaalsContact O-O 3.05Å; K156-F158 PolarHBondContact O-N 2.85Å; F158-G160 WeakPolarHBondContact CZ-O 3.44Å; F158-G160 PolarHBondContact O-N 3.12Å
159	Y	98.8	Very high	98.4	Very high	86 Å²	86	38.3 Å²	38.3	34%	0.337	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	33.5	-165.5	-61.1	-98.5	0	0	0	112.9	H111 L112 I175	H111-Y159 HydrophobicContact CB-CD2 4.39Å; H111-Y159 HydrophobicContact CB-CE2 3.69Å; H111-Y159 PolarHBondContact CE1-OH 2.83Å; H111-Y159 VanDerWaalsContact CE1-OH 3.27Å; H111-Y159 AromaticContact CG-CE2 3.81Å; H111-Y159 AromaticContact ND1-CE2 3.26Å; H111-Y159 VanDerWaalsContact ND1-CE2 3.26Å; H111-Y159 WeakPolarHBondContact ND1-CE2 3.35Å; H111-Y159 AromaticContact ND1-CZ 3.43Å; H111-Y159 PolarHBondContact ND1-OH 3.08Å; L112-Y159 PolarHBondContact O-N 2.96Å; Y159-I175 HydrophobicContact CD1-CD1 3.76Å; Y159-I175 HydrophobicContact CD1-CG1 4.28Å; Y159-I175 HydrophobicContact CD2-CD1 3.57Å; Y159-I175 HydrophobicContact CD2-CG1 4.46Å; Y159-I175 HydrophobicContact CE1-CD1 4.18Å; Y159-I175 HydrophobicContact CE1-CG1 4.27Å; Y159-I175 HydrophobicContact CE2-CD1 4.04Å; Y159-I175 HydrophobicContact CE2-CG1 4.49Å; Y159-I175 HydrophobicContact CE2-CG2 4.03Å; Y159-I175 HydrophobicContact CG-CD1 3.41Å; Y159-I175 VanDerWaalsContact CG-CD1 3.41Å; Y159-I175 HydrophobicContact CG-CG1 4.36Å
160	G	95.6	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.3	155.4	168.5	0	0	0	0	0	114.8	T114 M153 F158 N162	T114-G160 PolarHBondContact N-O 3.28Å; M153-G160 VanDerWaalsContact O-CA 3.22Å; M153-G160 WeakPolarHBondContact O-CA 3.47Å; F158-G160 WeakPolarHBondContact CZ-O 3.44Å; F158-G160 PolarHBondContact O-N 3.12Å; G160-N162 PolarHBondContact O-ND2 2.85Å
161	G	96.4	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.9	139.5	0	0	0	0	0	110.2	S115 M151 H152 M153	S115-G161 WeakPolarHBondContact O-CA 3.38Å; M151-G161 CarbonylContact O-C 3.6Å; M151-G161 WeakPolarHBondContact O-CA 3.21Å; H152-G161 PolarHBondContact ND1-O 3.23Å; M153-G161 PolarHBondContact O-N 3.23Å
162	N	98.7	Very high	98.4	Very high	22 Å²	22	41.8 Å²	41.8	12%	0.118	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.8	-177	-68.2	-89	0	0	0	110.2	I113 T114 S115 Y116 G160 Q168	I113-N162 WeakPolarHBondContact CG1-ND2 3.28Å; T114-N162 WeakPolarHBondContact O-CB 3.43Å; T114-N162 PolarHBondContact O-N 2.9Å; T114-N162 PolarHBondContact O-ND2 3.09Å; S115-N162 CarbonylContact C-O 3.58Å; S115-N162 WeakPolarHBondContact CA-O 3.48Å; S115-N162 PolarHBondContact O-N 3.04Å; Y116-N162 PolarHBondContact N-O 2.91Å; G160-N162 PolarHBondContact O-ND2 2.85Å; N162-Q168 HydrophobicContact CB-CB 3.96Å
163	G	98.1	Very high	98.4	Very high	24 Å²	24	39.2 Å²	39.2	25%	0.247	20%	0.203	C	C	.	.	S	Bend	trans	-77.4	-21.6	-174.4	0	0	0	0	0	114.6
164	I	98.8	Very high	98.5	Very high	124 Å²	124	41 Å²	41	64%	0.636	22%	0.221	S	C	*	.	S	Bend	trans	-93.5	113.7	-178.1	-52.3	-55.1	0	0	0	109.3	G166 A167	I164-G166 PolarHBondContact O-N 2.76Å; I164-G166 VanDerWaalsContact O-N 3.14Å; I164-A167 HydrophobicContact CB-CB 3.82Å; I164-A167 HydrophobicContact CG2-CB 3.93Å; I164-A167 WeakPolarHBondContact O-CB 3.48Å; I164-A167 PolarHBondContact O-N 2.8Å; I164-A167 VanDerWaalsContact O-N 3.09Å
165	V	98.6	Very high	98.5	Very high	56 Å²	56	36.5 Å²	36.5	34%	0.339	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	117.1	-174.4	-178.3	0	0	0	0	110.9	Y116 A167 A196 Q199	Y116-V165 HydrophobicContact CE1-CG2 4.15Å; V165-A167 VanDerWaalsContact C-N 3.35Å; V165-A196 HydrophobicContact CG1-CB 3.6Å; V165-Q199 HydrophobicContact CG1-CG 4.21Å; V165-Q199 WeakPolarHBondContact O-CG 3.27Å
166	G	98.4	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-15.3	177.1	0	0	0	0	0	114.7	I164 Q168 G169 P170 Q201 I202	I164-G166 PolarHBondContact O-N 2.76Å; I164-G166 VanDerWaalsContact O-N 3.14Å; G166-Q168 VanDerWaalsContact C-OE1 3.32Å; G166-Q168 VanDerWaalsContact N-OE1 3.15Å; G166-Q168 PolarHBondContact O-N 2.94Å; G166-G169 PolarHBondContact O-N 2.68Å; G166-G169 VanDerWaalsContact O-N 3.08Å; G166-P170 WeakPolarHBondContact O-CD 3.25Å; G166-Q201 VanDerWaalsContact C-NE2 3.34Å; G166-I202 WeakPolarHBondContact O-CD1 3.32Å
167	A	98.8	Very high	98.5	Very high	26 Å²	26	30.3 Å²	30.3	22%	0.215	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.2	-178.3	0	0	0	0	0	112.8	I164 V165 G169 L171	I164-A167 HydrophobicContact CB-CB 3.82Å; I164-A167 HydrophobicContact CG2-CB 3.93Å; I164-A167 WeakPolarHBondContact O-CB 3.48Å; I164-A167 PolarHBondContact O-N 2.8Å; I164-A167 VanDerWaalsContact O-N 3.09Å; V165-A167 VanDerWaalsContact C-N 3.35Å; A167-G169 PolarHBondContact O-N 2.67Å; A167-L171 WeakPolarHBondContact O-CG 3.14Å
168	Q	98.7	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70.5	-18	177	78.6	-75.1	7.6	0	0	113.9	I113 N162 G166 L171 G172 L191 Y192	I113-Q168 HydrophobicContact CD1-CB 3.95Å; I113-Q168 HydrophobicContact CG1-CB 4.03Å; N162-Q168 HydrophobicContact CB-CB 3.96Å; G166-Q168 VanDerWaalsContact C-OE1 3.32Å; G166-Q168 VanDerWaalsContact N-OE1 3.15Å; G166-Q168 PolarHBondContact O-N 2.94Å; Q168-L171 PolarHBondContact O-N 3.42Å; Q168-G172 PolarHBondContact O-N 3.06Å; Q168-L191 WeakPolarHBondContact CG-O 3.39Å; Q168-L191 PolarHBondContact NE2-O 3.31Å; Q168-Y192 VanDerWaalsContact NE2-CB 3.32Å
169	G	98.6	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-57.7	-179.8	0	0	0	0	0	113.1	G166 A167 L171 G172 A173	G166-G169 PolarHBondContact O-N 2.68Å; G166-G169 VanDerWaalsContact O-N 3.08Å; A167-G169 PolarHBondContact O-N 2.67Å; G169-L171 VanDerWaalsContact C-N 3.27Å; G169-L171 PolarHBondContact O-N 2.92Å; G169-G172 PolarHBondContact O-N 2.71Å; G169-A173 PolarHBondContact O-N 3.27Å
170	P	98.9	Very high	98.5	Very high	45 Å²	45	32.3 Å²	32.3	29%	0.292	20%	0.195	S	C	.	.	H	α-helix	trans	-58	-37.1	172.6	-26.1	34.3	0	0	0	113.3	G166 A173 G174 Q201 A205	G166-P170 WeakPolarHBondContact O-CD 3.25Å; P170-A173 PolarHBondContact O-N 2.75Å; P170-G174 PolarHBondContact O-N 3.03Å; P170-Q201 HydrophobicContact CG-CB 3.92Å; P170-Q201 HydrophobicContact CG-CG 4.24Å; P170-A205 HydrophobicContact CG-CB 4.35Å
171	L	98.9	Very high	98.7	Very high	91 Å²	91	42.3 Å²	42.3	48%	0.476	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-45.5	177.1	-65.8	177.4	0	0	0	111.9	I113 A167 Q168 G169 G174 I175	I113-L171 HydrophobicContact CD1-CB 3.71Å; I113-L171 HydrophobicContact CD1-CD1 4.18Å; A167-L171 WeakPolarHBondContact O-CG 3.14Å; Q168-L171 PolarHBondContact O-N 3.42Å; G169-L171 VanDerWaalsContact C-N 3.27Å; G169-L171 PolarHBondContact O-N 2.92Å; L171-G174 WeakPolarHBondContact O-CA 3.23Å; L171-G174 PolarHBondContact O-N 2.84Å; L171-G174 VanDerWaalsContact O-N 3.13Å; L171-I175 WeakPolarHBondContact O-CG1 3.26Å; L171-I175 PolarHBondContact O-N 3.49Å
172	G	98.9	Very high	98.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-41.7	175.1	0	0	0	0	0	113.2	Q168 G169 G174 I175 A176 T190	Q168-G172 PolarHBondContact O-N 3.06Å; G169-G172 PolarHBondContact O-N 2.71Å; G172-G174 VanDerWaalsContact C-N 3.31Å; G172-G174 PolarHBondContact O-N 3.2Å; G172-I175 PolarHBondContact O-N 3.01Å; G172-A176 PolarHBondContact O-N 2.96Å; G172-T190 VanDerWaalsContact CA-OG1 3.23Å; G172-T190 WeakPolarHBondContact CA-OG1 3.43Å
173	A	98.9	Very high	98.7	Very high	9 Å²	9	51.9 Å²	51.9	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-39.4	171.3	0	0	0	0	0	112	G169 P170 A176 L177 A205 L214 F218	G169-A173 PolarHBondContact O-N 3.27Å; P170-A173 PolarHBondContact O-N 2.75Å; A173-A176 WeakPolarHBondContact O-CB 3.46Å; A173-A176 PolarHBondContact O-N 3.47Å; A173-L177 PolarHBondContact O-N 3.34Å; A173-A205 HydrophobicContact CB-CB 4.33Å; A173-L214 HydrophobicContact CB-CD1 4.38Å; A173-L214 WeakPolarHBondContact O-CD1 3.11Å; A173-F218 HydrophobicContact CB-CZ 4.31Å
174	G	98.9	Very high	98.7	Very high	38 Å²	38	53.3 Å²	53.3	39%	0.392	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-38.3	173.6	0	0	0	0	0	113.6	P170 L171 G172 L177 A178	P170-G174 PolarHBondContact O-N 3.03Å; L171-G174 WeakPolarHBondContact O-CA 3.23Å; L171-G174 PolarHBondContact O-N 2.84Å; L171-G174 VanDerWaalsContact O-N 3.13Å; G172-G174 VanDerWaalsContact C-N 3.31Å; G172-G174 PolarHBondContact O-N 3.2Å; G174-L177 WeakPolarHBondContact O-CB 3.47Å; G174-L177 PolarHBondContact O-N 2.88Å; G174-A178 PolarHBondContact O-N 3.09Å
175	I	98.9	Very high	98.6	Very high	22 Å²	22	52.5 Å²	52.5	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-43.1	173.7	-64.5	156.8	0	0	0	110.3	H111 I113 Y159 L171 G172 L177 A178 C179 C188	H111-I175 HydrophobicContact CB-CG2 3.55Å; I113-I175 HydrophobicContact CB-CD1 4.49Å; I113-I175 HydrophobicContact CD1-CD1 4.35Å; Y159-I175 HydrophobicContact CD1-CD1 3.76Å; Y159-I175 HydrophobicContact CD1-CG1 4.28Å; Y159-I175 HydrophobicContact CD2-CD1 3.57Å; Y159-I175 HydrophobicContact CD2-CG1 4.46Å; Y159-I175 HydrophobicContact CE1-CD1 4.18Å; Y159-I175 HydrophobicContact CE1-CG1 4.27Å; Y159-I175 HydrophobicContact CE2-CD1 4.04Å; Y159-I175 HydrophobicContact CE2-CG1 4.49Å; Y159-I175 HydrophobicContact CE2-CG2 4.03Å; Y159-I175 HydrophobicContact CG-CD1 3.41Å; Y159-I175 VanDerWaalsContact CG-CD1 3.41Å; Y159-I175 HydrophobicContact CG-CG1 4.36Å; L171-I175 WeakPolarHBondContact O-CG1 3.26Å; L171-I175 PolarHBondContact O-N 3.49Å; G172-I175 PolarHBondContact O-N 3.01Å; I175-L177 VanDerWaalsContact C-N 3.31Å; I175-L177 PolarHBondContact O-N 2.9Å; I175-A178 WeakPolarHBondContact O-CB 3.47Å; I175-A178 PolarHBondContact O-N 3.21Å; I175-A178 VanDerWaalsContact O-N 3.08Å; I175-C179 PolarHBondContact O-N 3.29Å; I175-C179 PolarHBondContact O-SG 2.94Å; I175-C188 HydrophobicContact CB-CB 4.3Å; I175-C188 HydrophobicContact CG2-CB 4.05Å
176	A	98.9	Very high	98.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-39.2	174.3	0	0	0	0	0	112.1	G172 A173 A178 C179 K180 C188 L214 P215 C216	G172-A176 PolarHBondContact O-N 2.96Å; A173-A176 WeakPolarHBondContact O-CB 3.46Å; A173-A176 PolarHBondContact O-N 3.47Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 3.33Å; A176-C179 WeakPolarHBondContact O-CB 3.17Å; A176-C179 PolarHBondContact O-N 2.96Å; A176-K180 PolarHBondContact O-N 2.91Å; A176-C188 HydrophobicContact CB-CB 3.97Å; A176-L214 HydrophobicContact CB-CB 4.12Å; A176-P215 HydrophobicContact CB-CG 4.3Å; A176-P215 WeakPolarHBondContact O-CD 3.24Å; A176-P215 WeakPolarHBondContact O-CG 3.43Å; A176-C216 HydrophobicContact CB-CB 3.62Å
177	L	98.9	Very high	98.7	Very high	73 Å²	73	51.8 Å²	51.8	38%	0.382	29%	0.286	S	S	.	.	H	α-helix	trans	-58	-44.4	171.2	175.6	68.6	0	0	0	111.2	A173 G174 I175 C179 K180 Y181 L214	A173-L177 PolarHBondContact O-N 3.34Å; G174-L177 WeakPolarHBondContact O-CB 3.47Å; G174-L177 PolarHBondContact O-N 2.88Å; I175-L177 VanDerWaalsContact C-N 3.31Å; I175-L177 PolarHBondContact O-N 2.9Å; L177-C179 VanDerWaalsContact C-N 3.34Å; L177-C179 PolarHBondContact O-N 3.18Å; L177-K180 PolarHBondContact O-N 3.43Å; L177-Y181 VanDerWaalsContact O-CB 3.29Å; L177-Y181 WeakPolarHBondContact O-CB 3.39Å; L177-Y181 PolarHBondContact O-N 3.23Å; L177-L214 HydrophobicContact CB-CD1 4.12Å; L177-L214 HydrophobicContact CB-CD2 4.07Å; L177-L214 HydrophobicContact CD1-CD2 3.81Å
178	A	98.9	Very high	98.7	Very high	40 Å²	40	50.6 Å²	50.6	33%	0.331	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-37.5	177	0	0	0	0	0	112.7	G174 I175 A176 Y181 K182	G174-A178 PolarHBondContact O-N 3.09Å; I175-A178 WeakPolarHBondContact O-CB 3.47Å; I175-A178 PolarHBondContact O-N 3.21Å; I175-A178 VanDerWaalsContact O-N 3.08Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 3.33Å; A178-Y181 PolarHBondContact O-N 2.83Å; A178-K182 WeakPolarHBondContact O-CB 3.27Å; A178-K182 VanDerWaalsContact O-CG 3.31Å; A178-K182 WeakPolarHBondContact O-CG 3.39Å; A178-K182 PolarHBondContact O-N 3.43Å
179	C	98.9	Very high	98.7	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-49.1	174.1	-58.3	0	0	0	0	110.8	H111 I175 A176 L177 Y181 K182 G183 N184 E186 P215	H111-C179 PolarHBondContact CD2-SG 3.13Å; I175-C179 PolarHBondContact O-N 3.29Å; I175-C179 PolarHBondContact O-SG 2.94Å; A176-C179 WeakPolarHBondContact O-CB 3.17Å; A176-C179 PolarHBondContact O-N 2.96Å; L177-C179 VanDerWaalsContact C-N 3.34Å; L177-C179 PolarHBondContact O-N 3.18Å; C179-Y181 PolarHBondContact O-N 3.49Å; C179-K182 PolarHBondContact O-N 3.45Å; C179-G183 PolarHBondContact O-N 3.3Å; C179-G183 VanDerWaalsContact O-N 3.09Å; C179-N184 PolarHBondContact O-OD1 3.01Å; C179-N184 VanDerWaalsContact O-OD1 3.11Å; C179-E186 HydrophobicContact CB-CB 4.28Å; C179-E186 VanDerWaalsContact CB-O 3.28Å; C179-E186 WeakPolarHBondContact CB-O 3.36Å; C179-P215 HydrophobicContact CB-CG 4.12Å
180	K	98.8	Very high	98.7	Very high	105 Å²	105	50.6 Å²	50.6	46%	0.457	28%	0.276	S	S	.	.	H	α-helix	trans	-59.9	-45.6	176.1	-172.8	177.8	-178.7	179.5	0	111.9	A176 L177 K182 G183 W212 L214 P215	A176-K180 PolarHBondContact O-N 2.91Å; L177-K180 PolarHBondContact O-N 3.43Å; K180-K182 VanDerWaalsContact C-N 3.3Å; K180-K182 PolarHBondContact O-N 2.77Å; K180-G183 PolarHBondContact O-N 3.02Å; K180-G183 VanDerWaalsContact O-N 3.14Å; K180-W212 PolarHBondContact NZ-O 3Å; K180-L214 HydrophobicContact CD-CD2 4.16Å; K180-P215 HydrophobicContact CB-CG 4.37Å
181	Y	98.8	Very high	98.7	Very high	210 Å²	210	48.4 Å²	48.4	82%	0.824	26%	0.262	S	S	*	.	H	α-helix	trans	-61.1	-39.2	-179.1	-169	-84.4	0	0	0	112.1	L177 A178 C179 G183	L177-Y181 VanDerWaalsContact O-CB 3.29Å; L177-Y181 WeakPolarHBondContact O-CB 3.39Å; L177-Y181 PolarHBondContact O-N 3.23Å; A178-Y181 PolarHBondContact O-N 2.83Å; C179-Y181 PolarHBondContact O-N 3.49Å; Y181-G183 VanDerWaalsContact C-N 3.34Å
182	K	98.6	Very high	98.7	Very high	154 Å²	154	44.2 Å²	44.2	67%	0.67	24%	0.24	S	C	*	.	H	α-helix	trans	-78.7	-14.5	177.8	-70.2	175.7	-178.4	176.9	0	113.8	A178 C179 K180 N184	A178-K182 WeakPolarHBondContact O-CB 3.27Å; A178-K182 VanDerWaalsContact O-CG 3.31Å; A178-K182 WeakPolarHBondContact O-CG 3.39Å; A178-K182 PolarHBondContact O-N 3.43Å; C179-K182 PolarHBondContact O-N 3.45Å; K180-K182 VanDerWaalsContact C-N 3.3Å; K180-K182 PolarHBondContact O-N 2.77Å; K182-N184 VanDerWaalsContact C-N 3.26Å; K182-N184 HydrophobicContact CB-CB 4.39Å; K182-N184 PolarHBondContact O-N 2.87Å
183	G	97.9	Very high	98.7	Very high	68 Å²	68	45 Å²	45	70%	0.701	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	30.7	-178.7	0	0	0	0	0	113.7	C179 K180 Y181	C179-G183 PolarHBondContact O-N 3.3Å; C179-G183 VanDerWaalsContact O-N 3.09Å; K180-G183 PolarHBondContact O-N 3.02Å; K180-G183 VanDerWaalsContact O-N 3.14Å; Y181-G183 VanDerWaalsContact C-N 3.34Å
184	N	97.1	Very high	98.7	Very high	55 Å²	55	44.8 Å²	44.8	29%	0.294	25%	0.245	S	C	.	.			trans	-95	5.8	-170.6	63.8	-0.2	0	0	0	114.6	C179 K182 E186	C179-N184 PolarHBondContact O-OD1 3.01Å; C179-N184 VanDerWaalsContact O-OD1 3.11Å; K182-N184 VanDerWaalsContact C-N 3.26Å; K182-N184 HydrophobicContact CB-CB 4.39Å; K182-N184 PolarHBondContact O-N 2.87Å; N184-E186 HydrophobicContact CB-CG 4.43Å; N184-E186 PolarHBondContact ND2-OE2 3.42Å; N184-E186 PolarHBondContact O-N 3.44Å; N184-E186 VanDerWaalsContact O-N 3.13Å; N184-E186 WeakPolarHBondContact OD1-CB 3.49Å; N184-E186 PolarHBondContact OD1-N 2.99Å
185	N	97.7	Very high	98.6	Very high	106 Å²	106	44.1 Å²	44.1	57%	0.567	24%	0.239	S	C	*	.			trans	56.5	23.5	-179.1	-159.5	38.6	0	0	0	114.5	R272	N185-R272 WeakPolarHBondContact OD1-CB 3.35Å; N185-R272 PolarHBondContact OD1-O 3.28Å
186	E	98.9	Very high	98.6	Very high	42 Å²	42	43.4 Å²	43.4	20%	0.196	24%	0.236	C	C	.	.			trans	-88.5	156.5	171.4	-64.7	169.9	177.3	0	0	110.3	S109 D110 H111 C179 N184	S109-E186 VanDerWaalsContact O-CD 3.3Å; D110-E186 WeakPolarHBondContact OD1-CA 3.29Å; H111-E186 IonicContact CD2-OE2 2.96Å; H111-E186 IonicContact CE1-OE2 3.27Å; H111-E186 IonicContact NE2-OE2 3.67Å; H111-E186 PolarHBondContact NE2-OE2 3.1Å; C179-E186 HydrophobicContact CB-CB 4.28Å; C179-E186 VanDerWaalsContact CB-O 3.28Å; C179-E186 WeakPolarHBondContact CB-O 3.36Å; N184-E186 HydrophobicContact CB-CG 4.43Å; N184-E186 PolarHBondContact ND2-OE2 3.42Å; N184-E186 PolarHBondContact O-N 3.44Å; N184-E186 VanDerWaalsContact O-N 3.13Å; N184-E186 WeakPolarHBondContact OD1-CB 3.49Å; N184-E186 PolarHBondContact OD1-N 2.99Å
187	I	98.9	Very high	98.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.			trans	-119.7	167.7	176	71.1	175.7	0	0	0	111.4	I106 D110 H111 P215 V217 A268 C271 R272	I106-I187 HydrophobicContact CG2-CD1 4.39Å; D110-I187 HydrophobicContact CB-CG1 4.03Å; D110-I187 PolarHBondContact OD1-N 3.38Å; H111-I187 PolarHBondContact CD2-O 3.38Å; H111-I187 PolarHBondContact N-O 3.29Å; I187-P215 HydrophobicContact CB-CB 4.48Å; I187-P215 HydrophobicContact CG2-CB 4.16Å; I187-V217 HydrophobicContact CD1-CG2 4.26Å; I187-A268 HydrophobicContact CD1-CB 3.38Å; I187-C271 HydrophobicContact CB-CB 4.43Å; I187-C271 HydrophobicContact CG2-CB 3.74Å; I187-R272 HydrophobicContact CG2-CG 3.67Å
188	C	98.9	Very high	98.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.6	166.7	-168.9	0	0	0	0	112.1	H111 I175 A176 P215 V217	H111-C188 HydrophobicContact CB-CB 4.12Å; H111-C188 CarbonylContact O-C 3.5Å; H111-C188 WeakPolarHBondContact O-CA 3.27Å; I175-C188 HydrophobicContact CB-CB 4.3Å; I175-C188 HydrophobicContact CG2-CB 4.05Å; A176-C188 HydrophobicContact CB-CB 3.97Å; C188-P215 PolarHBondContact N-O 3.45Å; C188-V217 PolarHBondContact O-N 3.39Å
189	L	99	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.5	164.3	-62.7	171.8	0	0	0	108.9	L102 I106 H111 L112 I113 L191 V217 I219 T264	L102-L189 HydrophobicContact CB-CD1 4.35Å; L102-L189 HydrophobicContact CD2-CD1 4.13Å; L102-L189 HydrophobicContact CD2-CD2 4.36Å; I106-L189 HydrophobicContact CD1-CD1 3.5Å; I106-L189 VanDerWaalsContact CD1-CD1 3.5Å; I106-L189 HydrophobicContact CG2-CD1 3.66Å; I106-L189 HydrophobicContact CG2-CD2 4.44Å; I106-L189 HydrophobicContact CG2-CG 4.23Å; H111-L189 PolarHBondContact O-N 3.28Å; L112-L189 WeakPolarHBondContact CA-O 3.38Å; L112-L189 HydrophobicContact CD1-CB 4.39Å; L112-L189 HydrophobicContact CD1-CD1 3.9Å; L112-L189 HydrophobicContact CG-CB 4.16Å; I113-L189 PolarHBondContact N-O 3.44Å; L189-L191 HydrophobicContact CB-CD1 4.08Å; L189-V217 HydrophobicContact CD2-CB 3.74Å; L189-V217 HydrophobicContact CD2-CG1 3.9Å; L189-V217 HydrophobicContact CD2-CG2 4.11Å; L189-I219 HydrophobicContact CB-CD1 4.07Å; L189-I219 HydrophobicContact CD2-CD1 3.6Å; L189-I219 HydrophobicContact CG-CD1 4.3Å; L189-T264 HydrophobicContact CD2-CG2 4.4Å
190	T	98.9	Very high	98.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	98.9	-175	-57.3	0	0	0	0	109.9	I113 G172 C216 V217 F218 I219	I113-T190 HydrophobicContact CG2-CG2 4.03Å; G172-T190 VanDerWaalsContact CA-OG1 3.23Å; G172-T190 WeakPolarHBondContact CA-OG1 3.43Å; T190-C216 PolarHBondContact OG1-SG 3.01Å; T190-V217 PolarHBondContact N-O 3.04Å; T190-F218 HydrophobicContact CG2-CD1 4.2Å; T190-F218 HydrophobicContact CG2-CE1 4.32Å; T190-I219 PolarHBondContact O-N 2.78Å
191	L	98.9	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.5	-171.1	-62.1	81.5	0	0	0	112.5	L102 L112 I113 T114 M121 Q168 L189 I219 E221	L102-L191 HydrophobicContact CD1-CD2 3.81Å; L112-L191 HydrophobicContact CD1-CD1 4.16Å; L112-L191 HydrophobicContact CD2-CD1 3.76Å; L112-L191 HydrophobicContact CG-CD1 3.67Å; I113-L191 VanDerWaalsContact O-CD1 3.25Å; I113-L191 WeakPolarHBondContact O-CD1 3.45Å; I113-L191 PolarHBondContact O-N 2.6Å; T114-L191 WeakPolarHBondContact OG1-CB 3.31Å; M121-L191 HydrophobicContact CE-CD2 3.41Å; M121-L191 VanDerWaalsContact CE-CD2 3.41Å; Q168-L191 WeakPolarHBondContact CG-O 3.39Å; Q168-L191 PolarHBondContact NE2-O 3.31Å; L189-L191 HydrophobicContact CB-CD1 4.08Å; L191-I219 CarbonylContact C-O 3.52Å; L191-I219 WeakPolarHBondContact CA-O 3.43Å; L191-I219 HydrophobicContact CD1-CD1 4.44Å; L191-I219 HydrophobicContact CG-CB 4.01Å; L191-I219 HydrophobicContact CG-CD1 4.27Å; L191-I219 HydrophobicContact CG-CG2 4.3Å; L191-E221 HydrophobicContact CD2-CG 4.24Å
192	Y	98.9	Very high	98.6	Very high	3 Å²	3	35 Å²	35	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157	172.3	58.8	-90.8	0	0	0	110.3	Q168 A196 A197 I202 F206 F218 I219 C220 E221	Q168-Y192 VanDerWaalsContact NE2-CB 3.32Å; Y192-A196 HydrophobicContact CD2-CB 4.46Å; Y192-A197 HydrophobicContact CD2-CB 4.16Å; Y192-A197 HydrophobicContact CE2-CB 3.78Å; Y192-I202 HydrophobicContact CE1-CG2 4.36Å; Y192-F206 WeakPolarHBondContact OH-CZ 3.5Å; Y192-F218 HydrophobicContact CE1-CB 4.1Å; Y192-F218 HydrophobicContact CE1-CD1 4.45Å; Y192-I219 WeakPolarHBondContact CD1-O 3.35Å; Y192-I219 PolarHBondContact N-O 3.18Å; Y192-C220 HydrophobicContact CD2-CB 4.29Å; Y192-C220 HydrophobicContact CE2-CB 3.61Å; Y192-C220 CarbonylContact O-C 3.6Å; Y192-C220 VanDerWaalsContact O-CA 3.27Å; Y192-C220 WeakPolarHBondContact O-CA 3.31Å; Y192-E221 PolarHBondContact O-N 3.47Å
193	G	98.8	Very high	98.6	Very high	17 Å²	17	30.4 Å²	30.4	18%	0.175	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	169.1	177.8	0	0	0	0	0	113.4	G195 A196 A197	G193-G195 VanDerWaalsContact C-N 3.32Å; G193-G195 PolarHBondContact O-N 3.31Å; G193-A196 WeakPolarHBondContact O-CA 3.47Å; G193-A196 WeakPolarHBondContact O-CB 3.45Å; G193-A196 PolarHBondContact O-N 3.29Å; G193-A197 PolarHBondContact O-N 3.22Å; G193-A197 VanDerWaalsContact O-N 3.11Å
194	D	98.6	Very high	98.6	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-51.1	-45	176.8	51.1	-82.4	0	0	0	113.3	A196 A197 N222 N223 Y225 A226 Y240	D194-A196 VanDerWaalsContact C-N 3.32Å; D194-A196 PolarHBondContact O-N 2.94Å; D194-A197 VanDerWaalsContact O-CB 3.24Å; D194-A197 WeakPolarHBondContact O-CB 3.45Å; D194-A197 PolarHBondContact O-N 2.88Å; D194-N222 HydrophobicContact CB-CB 4.45Å; D194-N223 PolarHBondContact OD1-N 3.13Å; D194-N223 PolarHBondContact OD1-ND2 3.07Å; D194-Y225 VanDerWaalsContact OD2-C 3.26Å; D194-A226 PolarHBondContact OD2-N 2.79Å; D194-A226 VanDerWaalsContact OD2-N 3.08Å; D194-Y240 HydrophobicContact CB-CE1 4.17Å; D194-Y240 HydrophobicContact CB-CE2 3.95Å
195	G	98.2	Very high	98.7	Very high	24 Å²	24	30.5 Å²	30.5	25%	0.247	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-63.9	-33	174	0	0	0	0	0	114.7	G193 A197 A226	G193-G195 VanDerWaalsContact C-N 3.32Å; G193-G195 PolarHBondContact O-N 3.31Å; G195-A197 VanDerWaalsContact C-N 3.28Å; G195-A197 PolarHBondContact O-N 2.94Å; G195-A226 VanDerWaalsContact CA-CB 3.42Å
196	A	98.6	Very high	98.8	Very high	7 Å²	7	26 Å²	26	6%	0.058	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-74.5	-20.3	177.9	0	0	0	0	0	112.2	V165 Y192 G193 D194 N198 Q199	V165-A196 HydrophobicContact CG1-CB 3.6Å; Y192-A196 HydrophobicContact CD2-CB 4.46Å; G193-A196 WeakPolarHBondContact O-CA 3.47Å; G193-A196 WeakPolarHBondContact O-CB 3.45Å; G193-A196 PolarHBondContact O-N 3.29Å; D194-A196 VanDerWaalsContact C-N 3.32Å; D194-A196 PolarHBondContact O-N 2.94Å; A196-N198 PolarHBondContact O-N 3.34Å; A196-Q199 VanDerWaalsContact O-CB 3.29Å; A196-Q199 WeakPolarHBondContact O-CB 3.45Å; A196-Q199 WeakPolarHBondContact O-CG 3.39Å; A196-Q199 PolarHBondContact O-N 3.38Å
197	A	98.6	Very high	98.8	Very high	10 Å²	10	28.1 Å²	28.1	8%	0.083	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-62.7	-13.3	178.4	0	0	0	0	0	113.8	Y192 G193 D194 G195 Y240	Y192-A197 HydrophobicContact CD2-CB 4.16Å; Y192-A197 HydrophobicContact CE2-CB 3.78Å; G193-A197 PolarHBondContact O-N 3.22Å; G193-A197 VanDerWaalsContact O-N 3.11Å; D194-A197 VanDerWaalsContact O-CB 3.24Å; D194-A197 WeakPolarHBondContact O-CB 3.45Å; D194-A197 PolarHBondContact O-N 2.88Å; G195-A197 VanDerWaalsContact C-N 3.28Å; G195-A197 PolarHBondContact O-N 2.94Å; A197-Y240 HydrophobicContact CB-CD1 3.55Å; A197-Y240 HydrophobicContact CB-CE1 3.83Å
198	N	98.6	Very high	98.8	Very high	64 Å²	64	31.6 Å²	31.6	34%	0.342	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-97.5	4.3	176	-62.3	-38.5	0	0	0	113.7	A196 A234 R243	A196-N198 PolarHBondContact O-N 3.34Å; N198-A234 PolarHBondContact ND2-O 3.02Å; N198-R243 PolarHBondContact OD1-NH1 3.06Å; N198-R243 PolarHBondContact OD1-NH2 3.36Å
199	Q	98.8	Very high	98.8	Very high	76 Å²	76	31.6 Å²	31.6	36%	0.355	19%	0.19	S	C	.	.			trans	-74.6	129.4	175.2	-72.9	-72	-27.1	0	0	110.8	V165 A196 Q201 I202	V165-Q199 HydrophobicContact CG1-CG 4.21Å; V165-Q199 WeakPolarHBondContact O-CG 3.27Å; A196-Q199 VanDerWaalsContact O-CB 3.29Å; A196-Q199 WeakPolarHBondContact O-CB 3.45Å; A196-Q199 WeakPolarHBondContact O-CG 3.39Å; A196-Q199 PolarHBondContact O-N 3.38Å; Q199-Q201 VanDerWaalsContact C-N 3.29Å; Q199-Q201 HydrophobicContact CB-CG 4.27Å; Q199-Q201 PolarHBondContact O-N 2.92Å; Q199-I202 HydrophobicContact CB-CG1 3.96Å; Q199-I202 WeakPolarHBondContact O-CB 3.5Å; Q199-I202 PolarHBondContact O-N 3.19Å
200	G	98.8	Very high	98.8	Very high	48 Å²	48	33 Å²	33	50%	0.495	20%	0.201	S	C	.	.	H	α-helix	trans	-56.5	-41.5	-178.6	0	0	0	0	0	113.2	I202 A203 E204	G200-I202 PolarHBondContact O-N 3.16Å; G200-I202 VanDerWaalsContact O-N 3.15Å; G200-A203 WeakPolarHBondContact O-CB 3.34Å; G200-A203 PolarHBondContact O-N 3.48Å; G200-E204 PolarHBondContact O-N 3.26Å
201	Q	98.6	Very high	98.8	Very high	57 Å²	57	38.8 Å²	38.8	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-22.9	178.4	65.4	-174.5	-39.6	0	0	114.2	G166 P170 Q199 A205	G166-Q201 VanDerWaalsContact C-NE2 3.34Å; P170-Q201 HydrophobicContact CG-CB 3.92Å; P170-Q201 HydrophobicContact CG-CG 4.24Å; Q199-Q201 VanDerWaalsContact C-N 3.29Å; Q199-Q201 HydrophobicContact CB-CG 4.27Å; Q199-Q201 PolarHBondContact O-N 2.92Å; Q201-A205 WeakPolarHBondContact O-CB 3.04Å; Q201-A205 PolarHBondContact O-N 3.09Å
202	I	98.8	Very high	98.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-70.3	-43	172.3	-61.1	-59.3	0	0	0	110.1	G166 Y192 Q199 G200 A205 F206	G166-I202 WeakPolarHBondContact O-CD1 3.32Å; Y192-I202 HydrophobicContact CE1-CG2 4.36Å; Q199-I202 HydrophobicContact CB-CG1 3.96Å; Q199-I202 WeakPolarHBondContact O-CB 3.5Å; Q199-I202 PolarHBondContact O-N 3.19Å; G200-I202 PolarHBondContact O-N 3.16Å; G200-I202 VanDerWaalsContact O-N 3.15Å; I202-A205 WeakPolarHBondContact O-CB 3.34Å; I202-A205 PolarHBondContact O-N 2.93Å; I202-F206 HydrophobicContact CG2-CD1 4.35Å; I202-F206 HydrophobicContact CG2-CE1 3.63Å; I202-F206 HydrophobicContact CG2-CE2 3.85Å; I202-F206 HydrophobicContact CG2-CZ 3.35Å; I202-F206 WeakPolarHBondContact O-CD1 3.38Å; I202-F206 VanDerWaalsContact O-CG 3.3Å; I202-F206 WeakPolarHBondContact O-CG 3.2Å; I202-F206 PolarHBondContact O-N 3.44Å
203	A	98.7	Very high	98.8	Very high	57 Å²	57	50.3 Å²	50.3	47%	0.471	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-36.5	176.3	0	0	0	0	0	112.3	G200 A205 F206 N207	G200-A203 WeakPolarHBondContact O-CB 3.34Å; G200-A203 PolarHBondContact O-N 3.48Å; A203-A205 VanDerWaalsContact C-N 3.35Å; A203-F206 WeakPolarHBondContact O-CB 3.35Å; A203-F206 PolarHBondContact O-N 3.17Å; A203-N207 PolarHBondContact O-N 3.33Å; A203-N207 VanDerWaalsContact O-N 3.12Å
204	E	98.9	Very high	98.8	Very high	126 Å²	126	49.7 Å²	49.7	59%	0.589	27%	0.271	S	S	*	.	H	α-helix	trans	-60.7	-44.9	171.1	-66.7	176.7	177.9	0	0	111.3	G200 F206 N207 M208	G200-E204 PolarHBondContact O-N 3.26Å; E204-F206 VanDerWaalsContact C-N 3.34Å; E204-F206 PolarHBondContact O-N 3.14Å; E204-N207 PolarHBondContact O-N 3.01Å; E204-M208 PolarHBondContact O-N 2.79Å; E204-M208 VanDerWaalsContact O-N 3.13Å
205	A	98.9	Very high	98.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-39.7	176.3	0	0	0	0	0	112.1	P170 A173 Q201 I202 A203 A209 F218	P170-A205 HydrophobicContact CG-CB 4.35Å; A173-A205 HydrophobicContact CB-CB 4.33Å; Q201-A205 WeakPolarHBondContact O-CB 3.04Å; Q201-A205 PolarHBondContact O-N 3.09Å; I202-A205 WeakPolarHBondContact O-CB 3.34Å; I202-A205 PolarHBondContact O-N 2.93Å; A203-A205 VanDerWaalsContact C-N 3.35Å; A205-A209 WeakPolarHBondContact O-CB 3.39Å; A205-A209 PolarHBondContact O-N 2.6Å; A205-F218 HydrophobicContact CB-CE1 4.28Å; A205-F218 HydrophobicContact CB-CZ 4.33Å
206	F	98.9	Very high	98.8	Very high	10 Å²	10	49 Å²	49	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-51.9	173.4	-66.7	-16.9	0	0	0	111.6	Y192 I202 A203 E204 M208 A209 A210 F218 I247 L279	Y192-F206 WeakPolarHBondContact OH-CZ 3.5Å; I202-F206 HydrophobicContact CG2-CD1 4.35Å; I202-F206 HydrophobicContact CG2-CE1 3.63Å; I202-F206 HydrophobicContact CG2-CE2 3.85Å; I202-F206 HydrophobicContact CG2-CZ 3.35Å; I202-F206 WeakPolarHBondContact O-CD1 3.38Å; I202-F206 VanDerWaalsContact O-CG 3.3Å; I202-F206 WeakPolarHBondContact O-CG 3.2Å; I202-F206 PolarHBondContact O-N 3.44Å; A203-F206 WeakPolarHBondContact O-CB 3.35Å; A203-F206 PolarHBondContact O-N 3.17Å; E204-F206 VanDerWaalsContact C-N 3.34Å; E204-F206 PolarHBondContact O-N 3.14Å; F206-M208 PolarHBondContact O-N 3.13Å; F206-A209 PolarHBondContact O-N 3.43Å; F206-A210 WeakPolarHBondContact O-CB 3.32Å; F206-A210 PolarHBondContact O-N 3.47Å; F206-F218 AromaticContact CD1-CD1 3.98Å; F206-F218 HydrophobicContact CD1-CD1 3.98Å; F206-F218 AromaticContact CD1-CD2 3.73Å; F206-F218 HydrophobicContact CD1-CD2 3.73Å; F206-F218 HydrophobicContact CD1-CE1 4.01Å; F206-F218 AromaticContact CD1-CE2 3.76Å; F206-F218 HydrophobicContact CD1-CE2 3.76Å; F206-F218 AromaticContact CD1-CG 3.84Å; F206-F218 HydrophobicContact CD1-CG 3.84Å; F206-F218 AromaticContact CD1-CZ 3.89Å; F206-F218 HydrophobicContact CD1-CZ 3.89Å; F206-F218 HydrophobicContact CE1-CB 3.81Å; F206-F218 AromaticContact CE1-CD1 3.63Å; F206-F218 HydrophobicContact CE1-CD1 3.63Å; F206-F218 AromaticContact CE1-CD2 3.84Å; F206-F218 HydrophobicContact CE1-CD2 3.84Å; F206-F218 HydrophobicContact CE1-CE1 4.08Å; F206-F218 HydrophobicContact CE1-CE2 4.28Å; F206-F218 AromaticContact CE1-CG 3.48Å; F206-F218 HydrophobicContact CE1-CG 3.48Å; F206-F218 VanDerWaalsContact CE1-CG 3.48Å; F206-F218 HydrophobicContact CE1-CZ 4.38Å; F206-I247 HydrophobicContact CB-CD1 3.56Å; F206-I247 HydrophobicContact CD1-CD1 4.08Å; F206-I247 HydrophobicContact CG-CD1 3.95Å; F206-L279 HydrophobicContact CD1-CD1 4.35Å; F206-L279 HydrophobicContact CE1-CD1 4.06Å; F206-L279 HydrophobicContact CE1-CG 4.46Å; F206-L279 HydrophobicContact CE2-CD2 4.26Å; F206-L279 HydrophobicContact CZ-CD1 4.27Å; F206-L279 HydrophobicContact CZ-CD2 3.97Å; F206-L279 HydrophobicContact CZ-CG 4.34Å
207	N	98.9	Very high	98.8	Very high	88 Å²	88	48.6 Å²	48.6	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-57.8	-49.9	-178.6	-179.8	65.3	0	0	0	112	A203 E204 A210 L211 F246	A203-N207 PolarHBondContact O-N 3.33Å; A203-N207 VanDerWaalsContact O-N 3.12Å; E204-N207 PolarHBondContact O-N 3.01Å; N207-A210 PolarHBondContact O-N 3.04Å; N207-L211 VanDerWaalsContact O-CB 3.25Å; N207-L211 WeakPolarHBondContact O-CB 3.47Å; N207-L211 PolarHBondContact O-N 2.79Å; N207-F246 HydrophobicContact CB-CZ 4.09Å
208	M	98.9	Very high	98.9	Very high	72 Å²	72	48.1 Å²	48.1	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-41.1	179.1	-70.2	-174.4	-71.7	0	0	112.5	E204 F206 A210 L211 W212	E204-M208 PolarHBondContact O-N 2.79Å; E204-M208 VanDerWaalsContact O-N 3.13Å; F206-M208 PolarHBondContact O-N 3.13Å; M208-A210 VanDerWaalsContact C-N 3.34Å; M208-A210 PolarHBondContact O-N 2.92Å; M208-L211 PolarHBondContact O-N 3.47Å; M208-W212 HydrophobicContact CB-CE3 4.11Å; M208-W212 HydrophobicContact CB-CH2 4.17Å; M208-W212 HydrophobicContact CB-CZ3 3.9Å; M208-W212 HydrophobicContact CG-CH2 4.12Å; M208-W212 HydrophobicContact CG-CZ2 4.49Å; M208-W212 HydrophobicContact CG-CZ3 4.34Å; M208-W212 WeakPolarHBondContact O-CB 3.37Å; M208-W212 PolarHBondContact O-N 3.09Å; M208-W212 HydrophobicContact SD-CH2 3.77Å; M208-W212 HydrophobicContact SD-CZ3 4.14Å
209	A	98.9	Very high	98.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-40.9	179.4	0	0	0	0	0	112	A205 F206 K213 L214 F218 P277	A205-A209 WeakPolarHBondContact O-CB 3.39Å; A205-A209 PolarHBondContact O-N 2.6Å; F206-A209 PolarHBondContact O-N 3.43Å; A209-K213 WeakPolarHBondContact O-CA 3.38Å; A209-K213 PolarHBondContact O-N 3.5Å; A209-L214 HydrophobicContact CB-CB 4.24Å; A209-L214 HydrophobicContact CB-CD1 4.12Å; A209-L214 HydrophobicContact CB-CG 4.33Å; A209-L214 PolarHBondContact O-N 3.46Å; A209-F218 HydrophobicContact CB-CE2 3.65Å; A209-F218 HydrophobicContact CB-CZ 3.77Å; A209-P277 HydrophobicContact CB-CB 4.13Å; A209-P277 HydrophobicContact CB-CG 4.01Å; A209-P277 WeakPolarHBondContact O-CD 3.42Å
210	A	98.9	Very high	98.9	Very high	29 Å²	29	41.5 Å²	41.5	24%	0.24	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-49.5	175.8	0	0	0	0	0	111.1	F206 N207 M208 W212 K213 F246 I247 P277	F206-A210 WeakPolarHBondContact O-CB 3.32Å; F206-A210 PolarHBondContact O-N 3.47Å; N207-A210 PolarHBondContact O-N 3.04Å; M208-A210 VanDerWaalsContact C-N 3.34Å; M208-A210 PolarHBondContact O-N 2.92Å; A210-W212 VanDerWaalsContact C-N 3.25Å; A210-W212 PolarHBondContact O-N 2.97Å; A210-K213 PolarHBondContact O-N 3.42Å; A210-F246 HydrophobicContact CB-CD2 3.74Å; A210-F246 HydrophobicContact CB-CE2 3.62Å; A210-I247 HydrophobicContact CB-CD1 4.31Å; A210-I247 HydrophobicContact CB-CG1 4.02Å; A210-P277 HydrophobicContact CB-CG 4.25Å
211	L	98.9	Very high	98.9	Very high	122 Å²	122	39.9 Å²	39.9	64%	0.639	20%	0.202	S	C	*	.	H	α-helix	trans	-54.1	-43.4	178.7	-179.7	64.3	0	0	0	111.8	N207 M208	N207-L211 VanDerWaalsContact O-CB 3.25Å; N207-L211 WeakPolarHBondContact O-CB 3.47Å; N207-L211 PolarHBondContact O-N 2.79Å; M208-L211 PolarHBondContact O-N 3.47Å
212	W	98.9	Very high	98.9	Very high	117 Å²	117	37.4 Å²	37.4	44%	0.443	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	6.2	-178.4	-57.7	-28.4	0	0	0	113.8	K180 M208 A210 L214	K180-W212 PolarHBondContact NZ-O 3Å; M208-W212 HydrophobicContact CB-CE3 4.11Å; M208-W212 HydrophobicContact CB-CH2 4.17Å; M208-W212 HydrophobicContact CB-CZ3 3.9Å; M208-W212 HydrophobicContact CG-CH2 4.12Å; M208-W212 HydrophobicContact CG-CZ2 4.49Å; M208-W212 HydrophobicContact CG-CZ3 4.34Å; M208-W212 WeakPolarHBondContact O-CB 3.37Å; M208-W212 PolarHBondContact O-N 3.09Å; M208-W212 HydrophobicContact SD-CH2 3.77Å; M208-W212 HydrophobicContact SD-CZ3 4.14Å; A210-W212 VanDerWaalsContact C-N 3.25Å; A210-W212 PolarHBondContact O-N 2.97Å; W212-L214 VanDerWaalsContact C-N 3.31Å; W212-L214 HydrophobicContact CB-CD2 3.68Å; W212-L214 HydrophobicContact CB-CG 4.01Å; W212-L214 HydrophobicContact CE3-CD1 4.26Å; W212-L214 PolarHBondContact O-N 3.47Å
213	K	98.9	Very high	98.9	Very high	129 Å²	129	38 Å²	38	56%	0.561	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.2	54.7	-176.7	-57.9	-174.5	177.6	-172.2	0	112	A209 A210	A209-K213 WeakPolarHBondContact O-CA 3.38Å; A209-K213 PolarHBondContact O-N 3.5Å; A210-K213 PolarHBondContact O-N 3.42Å
214	L	98.9	Very high	98.9	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	19%	0.189	C	C	.	.			trans	-75	144.4	-179.2	-58	-172.3	0	0	0	111	A173 A176 L177 K180 A209 W212 C216 G276 P277	A173-L214 HydrophobicContact CB-CD1 4.38Å; A173-L214 WeakPolarHBondContact O-CD1 3.11Å; A176-L214 HydrophobicContact CB-CB 4.12Å; L177-L214 HydrophobicContact CB-CD1 4.12Å; L177-L214 HydrophobicContact CB-CD2 4.07Å; L177-L214 HydrophobicContact CD1-CD2 3.81Å; K180-L214 HydrophobicContact CD-CD2 4.16Å; A209-L214 HydrophobicContact CB-CB 4.24Å; A209-L214 HydrophobicContact CB-CD1 4.12Å; A209-L214 HydrophobicContact CB-CG 4.33Å; A209-L214 PolarHBondContact O-N 3.46Å; W212-L214 VanDerWaalsContact C-N 3.31Å; W212-L214 HydrophobicContact CB-CD2 3.68Å; W212-L214 HydrophobicContact CB-CG 4.01Å; W212-L214 HydrophobicContact CE3-CD1 4.26Å; W212-L214 PolarHBondContact O-N 3.47Å; L214-C216 HydrophobicContact CB-CB 4.35Å; L214-C216 PolarHBondContact O-N 3.35Å; L214-G276 CarbonylContact O-C 3.55Å; L214-P277 VanDerWaalsContact O-N 3.1Å
215	P	98.9	Very high	98.9	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.078	17%	0.165	C	C	.	.			trans	-76.7	59.6	174.1	34	-37	0	0	0	111.1	A176 C179 K180 I187 C188 C271	A176-P215 HydrophobicContact CB-CG 4.3Å; A176-P215 WeakPolarHBondContact O-CD 3.24Å; A176-P215 WeakPolarHBondContact O-CG 3.43Å; C179-P215 HydrophobicContact CB-CG 4.12Å; K180-P215 HydrophobicContact CB-CG 4.37Å; I187-P215 HydrophobicContact CB-CB 4.48Å; I187-P215 HydrophobicContact CG2-CB 4.16Å; C188-P215 PolarHBondContact N-O 3.45Å; P215-C271 HydrophobicContact CB-CB 4.07Å
216	C	98.9	Very high	98.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.1	-175.9	-169.9	0	0	0	0	110.3	A176 T190 L214 F218 P277 I278	A176-C216 HydrophobicContact CB-CB 3.62Å; T190-C216 PolarHBondContact OG1-SG 3.01Å; L214-C216 HydrophobicContact CB-CB 4.35Å; L214-C216 PolarHBondContact O-N 3.35Å; C216-F218 HydrophobicContact CB-CE2 4.11Å; C216-F218 HydrophobicContact CB-CZ 4.29Å; C216-F218 VanDerWaalsContact SG-CZ 3.53Å; C216-P277 HydrophobicContact CB-CB 4.39Å; C216-P277 WeakPolarHBondContact O-CA 3.27Å; C216-P277 VanDerWaalsContact O-CB 3.25Å; C216-P277 WeakPolarHBondContact O-CB 3.1Å; C216-I278 PolarHBondContact O-N 2.96Å
217	V	98.9	Very high	98.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.1	170.9	-177.7	0	0	0	0	107.4	I187 C188 L189 T190 I219 A267 C271 I278	I187-V217 HydrophobicContact CD1-CG2 4.26Å; C188-V217 PolarHBondContact O-N 3.39Å; L189-V217 HydrophobicContact CD2-CB 3.74Å; L189-V217 HydrophobicContact CD2-CG1 3.9Å; L189-V217 HydrophobicContact CD2-CG2 4.11Å; T190-V217 PolarHBondContact N-O 3.04Å; V217-I219 HydrophobicContact CG1-CD1 4.1Å; V217-I219 HydrophobicContact CG1-CG1 3.81Å; V217-A267 HydrophobicContact CG1-CB 3.93Å; V217-A267 HydrophobicContact CG2-CB 4.14Å; V217-C271 VanDerWaalsContact CG2-SG 3.51Å; V217-I278 CarbonylContact C-O 3.11Å; V217-I278 WeakPolarHBondContact CA-O 3.49Å; V217-I278 HydrophobicContact CB-CG2 4.36Å; V217-I278 HydrophobicContact CG1-CG2 4.13Å; V217-I278 HydrophobicContact CG2-CG2 3.99Å
218	F	98.9	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.6	177.8	-71.8	-72.8	0	0	0	109.7	A173 T190 Y192 A205 F206 A209 C216 I247 P277 I278 L279 M280	A173-F218 HydrophobicContact CB-CZ 4.31Å; T190-F218 HydrophobicContact CG2-CD1 4.2Å; T190-F218 HydrophobicContact CG2-CE1 4.32Å; Y192-F218 HydrophobicContact CE1-CB 4.1Å; Y192-F218 HydrophobicContact CE1-CD1 4.45Å; A205-F218 HydrophobicContact CB-CE1 4.28Å; A205-F218 HydrophobicContact CB-CZ 4.33Å; F206-F218 AromaticContact CD1-CD1 3.98Å; F206-F218 HydrophobicContact CD1-CD1 3.98Å; F206-F218 AromaticContact CD1-CD2 3.73Å; F206-F218 HydrophobicContact CD1-CD2 3.73Å; F206-F218 HydrophobicContact CD1-CE1 4.01Å; F206-F218 AromaticContact CD1-CE2 3.76Å; F206-F218 HydrophobicContact CD1-CE2 3.76Å; F206-F218 AromaticContact CD1-CG 3.84Å; F206-F218 HydrophobicContact CD1-CG 3.84Å; F206-F218 AromaticContact CD1-CZ 3.89Å; F206-F218 HydrophobicContact CD1-CZ 3.89Å; F206-F218 HydrophobicContact CE1-CB 3.81Å; F206-F218 AromaticContact CE1-CD1 3.63Å; F206-F218 HydrophobicContact CE1-CD1 3.63Å; F206-F218 AromaticContact CE1-CD2 3.84Å; F206-F218 HydrophobicContact CE1-CD2 3.84Å; F206-F218 HydrophobicContact CE1-CE1 4.08Å; F206-F218 HydrophobicContact CE1-CE2 4.28Å; F206-F218 AromaticContact CE1-CG 3.48Å; F206-F218 HydrophobicContact CE1-CG 3.48Å; F206-F218 VanDerWaalsContact CE1-CG 3.48Å; F206-F218 HydrophobicContact CE1-CZ 4.38Å; A209-F218 HydrophobicContact CB-CE2 3.65Å; A209-F218 HydrophobicContact CB-CZ 3.77Å; C216-F218 HydrophobicContact CB-CE2 4.11Å; C216-F218 HydrophobicContact CB-CZ 4.29Å; C216-F218 VanDerWaalsContact SG-CZ 3.53Å; F218-I247 HydrophobicContact CD2-CD1 4.49Å; F218-I247 HydrophobicContact CE2-CD1 4.37Å; F218-P277 HydrophobicContact CD2-CB 4.11Å; F218-P277 HydrophobicContact CE2-CB 3.88Å; F218-I278 PolarHBondContact N-O 2.71Å; F218-L279 HydrophobicContact CB-CD1 3.92Å; F218-L279 HydrophobicContact CB-CG 3.98Å; F218-L279 HydrophobicContact CD2-CD1 4.12Å; F218-L279 HydrophobicContact CG-CD1 4.41Å; F218-L279 CarbonylContact O-C 3.59Å; F218-L279 VanDerWaalsContact O-CA 3.29Å; F218-L279 WeakPolarHBondContact O-CA 3.48Å; F218-M280 PolarHBondContact O-N 3.29Å
219	I	99	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.3	-171.6	-55.4	178.7	0	0	0	110.3	L102 L189 T190 L191 Y192 V217 M280 L282	L102-I219 HydrophobicContact CD1-CD1 4.29Å; L102-I219 HydrophobicContact CD2-CD1 3.45Å; L102-I219 VanDerWaalsContact CD2-CD1 3.45Å; L189-I219 HydrophobicContact CB-CD1 4.07Å; L189-I219 HydrophobicContact CD2-CD1 3.6Å; L189-I219 HydrophobicContact CG-CD1 4.3Å; T190-I219 PolarHBondContact O-N 2.78Å; L191-I219 CarbonylContact C-O 3.52Å; L191-I219 WeakPolarHBondContact CA-O 3.43Å; L191-I219 HydrophobicContact CD1-CD1 4.44Å; L191-I219 HydrophobicContact CG-CB 4.01Å; L191-I219 HydrophobicContact CG-CD1 4.27Å; L191-I219 HydrophobicContact CG-CG2 4.3Å; Y192-I219 WeakPolarHBondContact CD1-O 3.35Å; Y192-I219 PolarHBondContact N-O 3.18Å; V217-I219 HydrophobicContact CG1-CD1 4.1Å; V217-I219 HydrophobicContact CG1-CG1 3.81Å; I219-M280 CarbonylContact C-O 3.47Å; I219-M280 WeakPolarHBondContact CA-O 3.38Å; I219-M280 HydrophobicContact CD1-CE 3.59Å; I219-M280 HydrophobicContact CG1-CB 4.33Å; I219-M280 HydrophobicContact CG1-CE 3.93Å; I219-M280 HydrophobicContact CG2-CE 4.44Å; I219-L282 HydrophobicContact CG2-CD1 3.89Å; I219-L282 HydrophobicContact CG2-CG 3.85Å
220	C	98.9	Very high	98.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.5	171.2	-173.6	0	0	0	0	110	Y192 N222 M280 E281 L282	Y192-C220 HydrophobicContact CD2-CB 4.29Å; Y192-C220 HydrophobicContact CE2-CB 3.61Å; Y192-C220 CarbonylContact O-C 3.6Å; Y192-C220 VanDerWaalsContact O-CA 3.27Å; Y192-C220 WeakPolarHBondContact O-CA 3.31Å; C220-N222 PolarHBondContact O-N 3.32Å; C220-N222 VanDerWaalsContact O-N 3.1Å; C220-M280 PolarHBondContact N-O 3.28Å; C220-E281 WeakPolarHBondContact O-CA 3.49Å; C220-L282 PolarHBondContact O-N 3.26Å
221	E	98.9	Very high	98.5	Very high	13 Å²	13	36.7 Å²	36.7	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	85.7	168.9	-68.6	-176.8	126.4	0	0	109.3	L191 Y192 N223	L191-E221 HydrophobicContact CD2-CG 4.24Å; Y192-E221 PolarHBondContact O-N 3.47Å; E221-N223 PolarHBondContact O-N 3.07Å; E221-N223 PolarHBondContact O-ND2 2.83Å
222	N	98.8	Very high	98.4	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	100.1	-179.4	-179.5	9	0	0	0	109.7	D194 C220 L224 Y240 E281 L282 T284	D194-N222 HydrophobicContact CB-CB 4.45Å; C220-N222 PolarHBondContact O-N 3.32Å; C220-N222 VanDerWaalsContact O-N 3.1Å; N222-L224 PolarHBondContact OD1-N 3.06Å; N222-Y240 HydrophobicContact CB-CD2 4.14Å; N222-Y240 HydrophobicContact CB-CE2 4.4Å; N222-Y240 WeakPolarHBondContact ND2-CD2 3.35Å; N222-Y240 WeakPolarHBondContact ND2-CE2 3.5Å; N222-E281 HydrophobicContact CB-CG 4.03Å; N222-E281 PolarHBondContact ND2-OE1 3.17Å; N222-L282 PolarHBondContact N-O 2.87Å; N222-T284 PolarHBondContact O-N 3.13Å; N222-T284 VanDerWaalsContact O-O 3.11Å
223	N	98.5	Very high	98.4	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.07	20%	0.202	C	C	.	.			trans	-102.7	19.6	175.4	65.9	85.2	0	0	0	112.6	Q95 D194 E221 Y225 T284 R286	Q95-N223 VanDerWaalsContact NE2-CB 3.33Å; D194-N223 PolarHBondContact OD1-N 3.13Å; D194-N223 PolarHBondContact OD1-ND2 3.07Å; E221-N223 PolarHBondContact O-N 3.07Å; E221-N223 PolarHBondContact O-ND2 2.83Å; N223-Y225 WeakPolarHBondContact O-CD2 3.29Å; N223-Y225 PolarHBondContact O-N 3.2Å; N223-Y225 VanDerWaalsContact O-N 3.12Å; N223-Y225 PolarHBondContact OD1-O 3.2Å; N223-T284 WeakPolarHBondContact CA-O 3.38Å; N223-T284 HydrophobicContact CB-CG2 4.28Å; N223-R286 HydrophobicContact CB-CG 4.29Å; N223-R286 WeakPolarHBondContact OD1-CD 3.25Å; N223-R286 PolarHBondContact OD1-NE 3.2Å
224	L	98.4	Very high	98.4	Very high	69 Å²	69	36 Å²	36	36%	0.361	19%	0.191	S	C	.	.	S	Bend	trans	70.7	-13	178.9	-46.5	-178.4	0	0	0	116.2	N222 S230 A231 Y285	N222-L224 PolarHBondContact OD1-N 3.06Å; L224-S230 CarbonylContact O-C 3.06Å; L224-S230 WeakPolarHBondContact O-CA 3.22Å; L224-A231 PolarHBondContact O-N 3.27Å; L224-Y285 HydrophobicContact CD1-CD2 4.05Å; L224-Y285 HydrophobicContact CD1-CE2 4.01Å; L224-Y285 HydrophobicContact CG-CD2 4.49Å
225	Y	98.6	Very high	98.3	Very high	23 Å²	23	36.2 Å²	36.2	9%	0.09	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	114.7	-171.5	-60	-83.3	0	0	0	114.6	D194 N223 M227 T229 Y285 R286 Y299 R300 E304	D194-Y225 VanDerWaalsContact OD2-C 3.26Å; N223-Y225 WeakPolarHBondContact O-CD2 3.29Å; N223-Y225 PolarHBondContact O-N 3.2Å; N223-Y225 VanDerWaalsContact O-N 3.12Å; N223-Y225 PolarHBondContact OD1-O 3.2Å; Y225-M227 PolarHBondContact O-N 3.37Å; Y225-T229 CarbonylContact C-O 2.87Å; Y225-T229 WeakPolarHBondContact CA-O 3.26Å; Y225-Y285 HydrophobicContact CE2-CE2 4.2Å; Y225-R286 VanDerWaalsContact CB-NH2 3.35Å; Y225-R286 PolarHBondContact O-NH2 3.23Å; Y225-Y299 AromaticContact CD1-CD2 3.59Å; Y225-Y299 HydrophobicContact CD1-CD2 3.59Å; Y225-Y299 AromaticContact CD1-CE2 3.86Å; Y225-Y299 HydrophobicContact CD1-CE2 3.86Å; Y225-Y299 AromaticContact CE1-CD2 3.87Å; Y225-Y299 HydrophobicContact CE1-CD2 3.87Å; Y225-Y299 HydrophobicContact CE1-CE2 4.39Å; Y225-Y299 HydrophobicContact CG-CD2 4.2Å; Y225-Y299 AromaticContact CG-CE2 3.99Å; Y225-Y299 HydrophobicContact CG-CE2 3.99Å; Y225-R300 HydrophobicContact CE1-CB 4.09Å; Y225-R300 HydrophobicContact CE2-CB 4.24Å; Y225-R300 WeakPolarHBondContact OH-CB 3.11Å; Y225-E304 VanDerWaalsContact CE2-OE1 3.26Å; Y225-E304 WeakPolarHBondContact CE2-OE1 3.26Å; Y225-E304 VanDerWaalsContact OH-CD 3.25Å; Y225-E304 PolarHBondContact OH-OE1 2.88Å; Y225-E304 PolarHBondContact OH-OE2 3.47Å
226	A	96.3	Very high	98.3	Very high	26 Å²	26	41.4 Å²	41.4	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	94.4	168.5	0	0	0	0	0	110.5	D194 G195 G228 T229	D194-A226 PolarHBondContact OD2-N 2.79Å; D194-A226 VanDerWaalsContact OD2-N 3.08Å; G195-A226 VanDerWaalsContact CA-CB 3.42Å; A226-G228 PolarHBondContact O-N 2.69Å; A226-T229 PolarHBondContact N-O 2.71Å; A226-T229 PolarHBondContact O-N 3.35Å
227	M	97.6	Very high	98.3	Very high	123 Å²	123	44.1 Å²	44.1	61%	0.606	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	-94.3	-169.8	-174.1	-174.7	-179.2	0	0	111.1	Y225 R286 H290 Y299	Y225-M227 PolarHBondContact O-N 3.37Å; M227-R286 PolarHBondContact O-NH2 3.33Å; M227-H290 WeakPolarHBondContact CA-ND1 3.12Å; M227-H290 HydrophobicContact CB-CB 4.43Å; M227-H290 HydrophobicContact CG-CB 4.09Å; M227-Y299 VanDerWaalsContact O-CZ 3.32Å; M227-Y299 PolarHBondContact O-OH 2.77Å
228	G	97.4	Very high	98.3	Very high	22 Å²	22	46 Å²	46	23%	0.227	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	8.7	174.4	0	0	0	0	0	114.5	A226 Y299	A226-G228 PolarHBondContact O-N 2.69Å; G228-Y299 VanDerWaalsContact CA-CD1 3.46Å; G228-Y299 WeakPolarHBondContact O-CB 3.47Å
229	T	98.5	Very high	98.2	Very high	52 Å²	52	48.5 Å²	48.5	32%	0.319	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.5	178.5	-51.5	0	0	0	0	109.1	Y225 A226 R233 A234	Y225-T229 CarbonylContact C-O 2.87Å; Y225-T229 WeakPolarHBondContact CA-O 3.26Å; A226-T229 PolarHBondContact N-O 2.71Å; A226-T229 PolarHBondContact O-N 3.35Å; T229-R233 HydrophobicContact CG2-CB 3.73Å; T229-A234 HydrophobicContact CG2-CB 3.95Å
230	S	98.4	Very high	98.2	Very high	30 Å²	30	48.5 Å²	48.5	21%	0.21	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	154.6	176.6	58.4	0	0	0	0	111.6	L224 E232 R233 A234	L224-S230 CarbonylContact O-C 3.06Å; L224-S230 WeakPolarHBondContact O-CA 3.22Å; S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 2.87Å; S230-R233 PolarHBondContact O-N 2.92Å; S230-R233 WeakPolarHBondContact OG-CD 3.23Å; S230-R233 WeakPolarHBondContact OG-CG 3.4Å; S230-A234 PolarHBondContact O-N 3.43Å; S230-A234 VanDerWaalsContact O-N 3.12Å
231	A	97.4	Very high	98.2	Very high	9 Å²	9	49.1 Å²	49.1	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-48	-49.1	176.4	0	0	0	0	0	112.6	L224 R233 A234 A235 T238 Y240	L224-A231 PolarHBondContact O-N 3.27Å; A231-R233 PolarHBondContact O-N 3.41Å; A231-R233 VanDerWaalsContact O-N 3.15Å; A231-A234 PolarHBondContact O-N 3.08Å; A231-A235 PolarHBondContact O-N 3.43Å; A231-T238 HydrophobicContact CB-CG2 3.88Å; A231-Y240 HydrophobicContact CB-CE2 4.26Å; A231-Y240 WeakPolarHBondContact CB-OH 3.43Å
232	E	97.6	Very high	98.2	Very high	142 Å²	142	52.1 Å²	52.1	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-59.9	-25	179.1	-63.8	-60.4	152.1	0	0	114.1	S230 T238	S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 2.87Å; E232-T238 HydrophobicContact CG-CG2 4.47Å; E232-T238 WeakPolarHBondContact OE1-CG2 3.29Å; E232-T238 PolarHBondContact OE1-OG1 3.44Å
233	R	98.4	Very high	98.2	Very high	175 Å²	175	56 Å²	56	66%	0.66	31%	0.309	S	S	*	.	H	α-helix	trans	-92.8	-17.7	177.7	-69.1	173.4	58.3	-135.4	-7.1	112.8	T229 S230 A231	T229-R233 HydrophobicContact CG2-CB 3.73Å; S230-R233 PolarHBondContact O-N 2.92Å; S230-R233 WeakPolarHBondContact OG-CD 3.23Å; S230-R233 WeakPolarHBondContact OG-CG 3.4Å; A231-R233 PolarHBondContact O-N 3.41Å; A231-R233 VanDerWaalsContact O-N 3.15Å
234	A	98.1	Very high	98.2	Very high	38 Å²	38	55.4 Å²	55.4	31%	0.314	31%	0.306	S	S	.	.	H	α-helix	trans	-104.5	-29.3	-173.5	0	0	0	0	0	113.1	N198 T229 S230 A231	N198-A234 PolarHBondContact ND2-O 3.02Å; T229-A234 HydrophobicContact CG2-CB 3.95Å; S230-A234 PolarHBondContact O-N 3.43Å; S230-A234 VanDerWaalsContact O-N 3.12Å; A231-A234 PolarHBondContact O-N 3.08Å
235	A	98.4	Very high	98.2	Very high	6 Å²	6	57.6 Å²	57.6	5%	0.05	32%	0.319	C	S	.	.			trans	-126.1	130.7	-176.6	0	0	0	0	0	110.7	A231 S237 Y240	A231-A235 PolarHBondContact O-N 3.43Å; A235-S237 WeakPolarHBondContact CB-O 3.5Å; A235-S237 PolarHBondContact O-N 3.17Å; A235-Y240 HydrophobicContact CB-CE1 4.26Å
236	A	98.5	Very high	98.2	Very high	122 Å²	122	61.4 Å²	61.4	100%	1.008	34%	0.336	S	S	*	.	S	Bend	trans	-66.1	-21.8	174.9	0	0	0	0	0	113
237	S	98.2	Very high	98.3	Very high	56 Å²	56	60.2 Å²	60.2	39%	0.392	33%	0.326	S	S	.	.			trans	-134.2	123.4	169.5	174.7	0	0	0	0	108.4	A235	A235-S237 WeakPolarHBondContact CB-O 3.5Å; A235-S237 PolarHBondContact O-N 3.17Å
238	T	98.6	Very high	98.4	Very high	39 Å²	39	55 Å²	55	24%	0.239	30%	0.301	C	S	.	.			trans	-92.3	6.1	-179.6	50.5	0	0	0	0	113.2	A231 E232 Y240	A231-T238 HydrophobicContact CB-CG2 3.88Å; E232-T238 HydrophobicContact CG-CG2 4.47Å; E232-T238 WeakPolarHBondContact OE1-CG2 3.29Å; E232-T238 PolarHBondContact OE1-OG1 3.44Å; T238-Y240 VanDerWaalsContact C-N 3.33Å; T238-Y240 WeakPolarHBondContact O-CD2 3.34Å; T238-Y240 PolarHBondContact O-N 2.85Å; T238-Y240 VanDerWaalsContact O-N 3.08Å
239	D	98.6	Very high	98.5	Very high	53 Å²	53	54 Å²	54	28%	0.283	29%	0.29	S	S	.	.			trans	-79.7	75.4	169.4	-80.3	-20.9	0	0	0	110.2	Y241 K242	D239-Y241 VanDerWaalsContact C-N 3.3Å; D239-Y241 HydrophobicContact CB-CD1 4.32Å; D239-Y241 HydrophobicContact CB-CE1 3.95Å; D239-Y241 PolarHBondContact O-N 3.12Å; D239-K242 HydrophobicContact CB-CB 4.29Å; D239-K242 HydrophobicContact CB-CD 4.01Å; D239-K242 HydrophobicContact CB-CG 4.15Å; D239-K242 PolarHBondContact O-N 2.92Å; D239-K242 IonicContact OD2-NZ 2.8Å; D239-K242 PolarHBondContact OD2-NZ 3.08Å
240	Y	98.9	Very high	98.5	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-62.4	-34.8	-172.5	-63	-77.4	0	0	0	113.2	D194 A197 N222 A231 A235 T238 K242 R243 E281	D194-Y240 HydrophobicContact CB-CE1 4.17Å; D194-Y240 HydrophobicContact CB-CE2 3.95Å; A197-Y240 HydrophobicContact CB-CD1 3.55Å; A197-Y240 HydrophobicContact CB-CE1 3.83Å; N222-Y240 HydrophobicContact CB-CD2 4.14Å; N222-Y240 HydrophobicContact CB-CE2 4.4Å; N222-Y240 WeakPolarHBondContact ND2-CD2 3.35Å; N222-Y240 WeakPolarHBondContact ND2-CE2 3.5Å; A231-Y240 HydrophobicContact CB-CE2 4.26Å; A231-Y240 WeakPolarHBondContact CB-OH 3.43Å; A235-Y240 HydrophobicContact CB-CE1 4.26Å; T238-Y240 VanDerWaalsContact C-N 3.33Å; T238-Y240 WeakPolarHBondContact O-CD2 3.34Å; T238-Y240 PolarHBondContact O-N 2.85Å; T238-Y240 VanDerWaalsContact O-N 3.08Å; Y240-K242 PolarHBondContact O-N 3.07Å; Y240-K242 VanDerWaalsContact O-N 3.16Å; Y240-R243 WeakPolarHBondContact O-CB 3.41Å; Y240-R243 WeakPolarHBondContact O-CG 3.48Å; Y240-R243 PolarHBondContact O-N 3.48Å; Y240-R243 VanDerWaalsContact O-N 3.11Å; Y240-E281 WeakPolarHBondContact CB-OE2 3.09Å; Y240-E281 PolarHBondContact N-OE2 3.31Å
241	Y	98.9	Very high	98.5	Very high	13 Å²	13	51.8 Å²	51.8	5%	0.051	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61.2	-18.9	175.1	73.9	-73.6	0	0	0	114.5	D40 H42 D239 K251 E281	D40-Y241 HydrophobicContact CB-CE2 4.26Å; H42-Y241 HydrophobicContact CB-CD2 3.76Å; H42-Y241 HydrophobicContact CB-CE2 3.81Å; D239-Y241 VanDerWaalsContact C-N 3.3Å; D239-Y241 HydrophobicContact CB-CD1 4.32Å; D239-Y241 HydrophobicContact CB-CE1 3.95Å; D239-Y241 PolarHBondContact O-N 3.12Å; Y241-K251 HydrophobicContact CD1-CB 3.8Å; Y241-K251 HydrophobicContact CD1-CD 4.07Å; Y241-K251 HydrophobicContact CD1-CG 4.28Å; Y241-K251 HydrophobicContact CD2-CB 4.46Å; Y241-K251 HydrophobicContact CE1-CB 4.11Å; Y241-K251 HydrophobicContact CE1-CD 4.03Å; Y241-K251 HydrophobicContact CG-CB 3.98Å; Y241-E281 WeakPolarHBondContact CD1-OE2 3.44Å; Y241-E281 PolarHBondContact N-OE2 3.32Å; Y241-E281 VanDerWaalsContact N-OE2 3.11Å
242	K	98.9	Very high	98.6	Very high	76 Å²	76	51.5 Å²	51.5	33%	0.33	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-94.9	-8.7	176.9	-61.3	-174.8	-177	146.3	0	113.9	H42 D239 Y240 G244 N245	H42-K242 HydrophobicContact CB-CG 3.94Å; D239-K242 HydrophobicContact CB-CB 4.29Å; D239-K242 HydrophobicContact CB-CD 4.01Å; D239-K242 HydrophobicContact CB-CG 4.15Å; D239-K242 PolarHBondContact O-N 2.92Å; D239-K242 IonicContact OD2-NZ 2.8Å; D239-K242 PolarHBondContact OD2-NZ 3.08Å; Y240-K242 PolarHBondContact O-N 3.07Å; Y240-K242 VanDerWaalsContact O-N 3.16Å; K242-G244 PolarHBondContact O-N 3.32Å; K242-G244 VanDerWaalsContact O-N 3.15Å; K242-N245 PolarHBondContact O-N 3.06Å
243	R	98.6	Very high	98.6	Very high	87 Å²	87	45.6 Å²	45.6	33%	0.328	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.2	-172.7	-64.3	-67.2	-61.7	-80.7	-7.6	113.4	N198 Y240 N245	N198-R243 PolarHBondContact OD1-NH1 3.06Å; N198-R243 PolarHBondContact OD1-NH2 3.36Å; Y240-R243 WeakPolarHBondContact O-CB 3.41Å; Y240-R243 WeakPolarHBondContact O-CG 3.48Å; Y240-R243 PolarHBondContact O-N 3.48Å; Y240-R243 VanDerWaalsContact O-N 3.11Å; R243-N245 PolarHBondContact O-N 3.49Å
244	G	98.3	Very high	98.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.8	169.9	0	0	0	0	0	114.2	K242 F246 I247 L279	K242-G244 PolarHBondContact O-N 3.32Å; K242-G244 VanDerWaalsContact O-N 3.15Å; G244-F246 VanDerWaalsContact C-N 3.33Å; G244-F246 PolarHBondContact O-N 3.26Å; G244-I247 PolarHBondContact O-N 2.91Å; G244-I247 VanDerWaalsContact O-N 3.07Å; G244-L279 VanDerWaalsContact N-CD2 3.3Å
245	N	98.3	Very high	98.7	Very high	115 Å²	115	35.6 Å²	35.6	62%	0.615	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	-85.5	-178.8	-172.8	-31.1	0	0	0	112.5	H42 L43 K242 R243 I247	H42-N245 PolarHBondContact NE2-O 2.92Å; L43-N245 WeakPolarHBondContact CD1-O 3.4Å; K242-N245 PolarHBondContact O-N 3.06Å; R243-N245 PolarHBondContact O-N 3.49Å; N245-I247 VanDerWaalsContact C-N 3.3Å; N245-I247 PolarHBondContact O-N 3.34Å
246	F	98.6	Very high	98.7	Very high	103 Å²	103	35.6 Å²	35.6	45%	0.452	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.9	178	46.1	-100.3	0	0	0	113.8	N207 A210 G244	N207-F246 HydrophobicContact CB-CZ 4.09Å; A210-F246 HydrophobicContact CB-CD2 3.74Å; A210-F246 HydrophobicContact CB-CE2 3.62Å; G244-F246 VanDerWaalsContact C-N 3.33Å; G244-F246 PolarHBondContact O-N 3.26Å
247	I	98.9	Very high	98.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.149	C	C	.	.	S	Bend	trans	-88.8	130.4	173.3	-55	-177.7	0	0	0	109.3	H42 F206 A210 F218 G244 N245 P277 L279	H42-I247 PolarHBondContact CD2-O 2.99Å; F206-I247 HydrophobicContact CB-CD1 3.56Å; F206-I247 HydrophobicContact CD1-CD1 4.08Å; F206-I247 HydrophobicContact CG-CD1 3.95Å; A210-I247 HydrophobicContact CB-CD1 4.31Å; A210-I247 HydrophobicContact CB-CG1 4.02Å; F218-I247 HydrophobicContact CD2-CD1 4.49Å; F218-I247 HydrophobicContact CE2-CD1 4.37Å; G244-I247 PolarHBondContact O-N 2.91Å; G244-I247 VanDerWaalsContact O-N 3.07Å; N245-I247 VanDerWaalsContact C-N 3.3Å; N245-I247 PolarHBondContact O-N 3.34Å; I247-P277 HydrophobicContact CD1-CB 4.36Å; I247-P277 HydrophobicContact CD1-CG 3.88Å; I247-P277 HydrophobicContact CG1-CG 4.22Å; I247-P277 HydrophobicContact CG2-CB 4.24Å; I247-P277 HydrophobicContact CG2-CG 4.08Å; I247-P277 WeakPolarHBondContact CG2-O 3.39Å; I247-L279 HydrophobicContact CB-CD1 3.79Å; I247-L279 HydrophobicContact CD1-CD1 4.06Å; I247-L279 HydrophobicContact CG2-CD1 3.45Å; I247-L279 VanDerWaalsContact CG2-CD1 3.45Å
248	P	98.9	Very high	98.8	Very high	14 Å²	14	27.2 Å²	27.2	9%	0.091	13%	0.13	C	C	.	.			trans	-63.2	153.3	174.3	26.2	-33.1	0	0	0	111.4	H42 L43 L44 Y270 I278 L279	H42-P248 CarbonylContact O-C 3.56Å; H42-P248 VanDerWaalsContact O-CA 3.26Å; H42-P248 WeakPolarHBondContact O-CA 3.46Å; L43-P248 HydrophobicContact CB-CB 4.2Å; L44-P248 HydrophobicContact CD1-CB 4.46Å; L44-P248 HydrophobicContact CD2-CB 3.81Å; L44-P248 HydrophobicContact CD2-CG 4.49Å; L44-P248 HydrophobicContact CG-CB 3.84Å; P248-Y270 HydrophobicContact CG-CE1 4.3Å; P248-Y270 HydrophobicContact CG-CE2 4.43Å; P248-Y270 WeakPolarHBondContact CG-OH 3.4Å; P248-I278 HydrophobicContact CG-CG1 4.37Å; P248-I278 WeakPolarHBondContact O-CA 3.46Å; P248-I278 WeakPolarHBondContact O-CG1 3.45Å; P248-L279 PolarHBondContact O-N 2.63Å
249	G	98.9	Very high	98.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	162.9	-179.8	0	0	0	0	0	114.3	H42 L279	H42-G249 PolarHBondContact N-O 2.8Å; H42-G249 PolarHBondContact O-N 3.42Å; G249-L279 CarbonylContact C-O 3.53Å; G249-L279 WeakPolarHBondContact CA-O 3.46Å
250	L	98.9	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.1	175.5	57.8	147.3	0	0	0	111.8	C39 D40 L41 L44 P48 V252 A263 F266 I278 L279 M280 E281	C39-L250 HydrophobicContact CB-CB 4.2Å; C39-L250 HydrophobicContact CB-CD1 4.39Å; D40-L250 CarbonylContact O-C 3.53Å; D40-L250 VanDerWaalsContact O-CA 3.24Å; D40-L250 WeakPolarHBondContact O-CA 3.32Å; L41-L250 HydrophobicContact CD2-CB 4.01Å; L44-L250 HydrophobicContact CD1-CD2 4.27Å; P48-L250 HydrophobicContact CG-CD1 3.73Å; L250-V252 HydrophobicContact CD1-CG2 3.79Å; L250-V252 HydrophobicContact CG-CG2 4.35Å; L250-A263 HydrophobicContact CD1-CB 3.77Å; L250-F266 HydrophobicContact CD2-CD1 4.34Å; L250-F266 HydrophobicContact CD2-CE1 4.37Å; L250-I278 HydrophobicContact CD2-CD1 3.55Å; L250-I278 HydrophobicContact CD2-CG1 4.01Å; L250-L279 PolarHBondContact N-O 2.84Å; L250-M280 HydrophobicContact CD1-CG 4.43Å; L250-M280 HydrophobicContact CD1-SD 4.47Å; L250-M280 HydrophobicContact CG-CG 4.29Å; L250-M280 CarbonylContact O-C 3.57Å; L250-M280 WeakPolarHBondContact O-CA 3.24Å; L250-E281 PolarHBondContact O-N 3.41Å
251	K	98.9	Very high	98.8	Very high	37 Å²	37	23 Å²	23	16%	0.161	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.7	174.1	-167	177.2	72.4	-169.6	0	109.9	C39 D40 Y241 E281 Q283	C39-K251 WeakPolarHBondContact CA-O 3.27Å; C39-K251 WeakPolarHBondContact CB-O 3.38Å; D40-K251 HydrophobicContact CB-CB 4.11Å; D40-K251 PolarHBondContact N-O 2.67Å; D40-K251 PolarHBondContact O-N 3.37Å; D40-K251 WeakPolarHBondContact OD2-CE 3.36Å; D40-K251 IonicContact OD2-NZ 2.63Å; D40-K251 PolarHBondContact OD2-NZ 2.76Å; Y241-K251 HydrophobicContact CD1-CB 3.8Å; Y241-K251 HydrophobicContact CD1-CD 4.07Å; Y241-K251 HydrophobicContact CD1-CG 4.28Å; Y241-K251 HydrophobicContact CD2-CB 4.46Å; Y241-K251 HydrophobicContact CE1-CB 4.11Å; Y241-K251 HydrophobicContact CE1-CD 4.03Å; Y241-K251 HydrophobicContact CG-CB 3.98Å; K251-E281 HydrophobicContact CB-CB 4.48Å; K251-E281 HydrophobicContact CG-CB 4.15Å; K251-E281 HydrophobicContact CG-CG 4.2Å; K251-Q283 VanDerWaalsContact CD-CD 3.48Å; K251-Q283 HydrophobicContact CD-CG 4.06Å; K251-Q283 VanDerWaalsContact CE-OE1 3.32Å; K251-Q283 HydrophobicContact CG-CG 3.81Å
252	V	98.9	Very high	98.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.7	-167.3	-171.3	0	0	0	0	109.7	L250 G254 C259 V260 A263 M280 E281 L282 Q283	L250-V252 HydrophobicContact CD1-CG2 3.79Å; L250-V252 HydrophobicContact CG-CG2 4.35Å; V252-G254 PolarHBondContact O-N 2.99Å; V252-C259 HydrophobicContact CG1-CB 3.96Å; V252-V260 HydrophobicContact CG1-CG2 4.45Å; V252-A263 HydrophobicContact CB-CB 4.37Å; V252-A263 HydrophobicContact CG1-CB 3.84Å; V252-A263 HydrophobicContact CG2-CB 3.53Å; V252-M280 HydrophobicContact CG2-CG 3.67Å; V252-M280 HydrophobicContact CG2-SD 4.03Å; V252-E281 PolarHBondContact N-O 2.96Å; V252-L282 HydrophobicContact CB-CD2 3.79Å; V252-L282 HydrophobicContact CG1-CD2 4.15Å; V252-L282 HydrophobicContact CG2-CD2 4.16Å; V252-Q283 PolarHBondContact O-N 3.29Å
253	D	98.9	Very high	98.8	Very high	18 Å²	18	19.6 Å²	19.6	10%	0.096	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	103.3	164.8	-175.1	1.2	0	0	0	110.3	M255 D256 C259 R312	D253-M255 PolarHBondContact O-N 3.22Å; D253-M255 WeakPolarHBondContact OD1-CA 3.36Å; D253-M255 VanDerWaalsContact OD1-CB 3.31Å; D253-M255 WeakPolarHBondContact OD1-CB 3.45Å; D253-M255 PolarHBondContact OD1-N 2.63Å; D253-D256 HydrophobicContact CB-CB 4.36Å; D253-D256 PolarHBondContact O-N 3.09Å; D253-C259 HydrophobicContact CB-CB 4.24Å; D253-R312 IonicContact OD1-CZ 3.9Å; D253-R312 IonicContact OD1-NH2 2.73Å; D253-R312 PolarHBondContact OD1-NH2 3.04Å; D253-R312 IonicContact OD2-NH2 3.88Å; D253-R312 PolarHBondContact OD2-NH2 2.99Å
254	G	98.9	Very high	98.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.3	177.6	0	0	0	0	0	114.2	A97 C98 V252 Q283 T284	A97-G254 WeakPolarHBondContact CB-O 3.47Å; C98-G254 PolarHBondContact SG-O 3.42Å; C98-G254 VanDerWaalsContact SG-O 3.38Å; V252-G254 PolarHBondContact O-N 2.99Å; G254-Q283 WeakPolarHBondContact CA-O 3.25Å; G254-Q283 PolarHBondContact N-O 2.95Å; G254-T284 PolarHBondContact O-OG1 3.4Å
255	M	98.9	Very high	98.9	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.015	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-11.4	173.3	-52.8	-57.9	-67.5	0	0	112.2	G94 D253 Y285 V308 R312 P314 I317	G94-M255 WeakPolarHBondContact O-CE 3.36Å; D253-M255 PolarHBondContact O-N 3.22Å; D253-M255 WeakPolarHBondContact OD1-CA 3.36Å; D253-M255 VanDerWaalsContact OD1-CB 3.31Å; D253-M255 WeakPolarHBondContact OD1-CB 3.45Å; D253-M255 PolarHBondContact OD1-N 2.63Å; M255-Y285 PolarHBondContact SD-N 3.49Å; M255-V308 HydrophobicContact CE-CG1 4.14Å; M255-R312 HydrophobicContact CB-CB 4.47Å; M255-R312 HydrophobicContact CE-CB 4.41Å; M255-R312 WeakPolarHBondContact CE-O 3.5Å; M255-R312 HydrophobicContact CG-CB 4.4Å; M255-P314 WeakPolarHBondContact O-CA 3.24Å; M255-P314 VanDerWaalsContact O-CB 3.31Å; M255-P314 WeakPolarHBondContact O-CB 3.26Å; M255-I317 HydrophobicContact CB-CD1 4.38Å
256	D	98.9	Very high	98.9	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.032	7%	0.072	C	C	.	.			trans	-109.9	110.4	179.2	-178	-13.7	0	0	0	111.3	D253 L258 C259 V260 R321	D253-D256 HydrophobicContact CB-CB 4.36Å; D253-D256 PolarHBondContact O-N 3.09Å; D256-L258 PolarHBondContact O-N 2.78Å; D256-L258 VanDerWaalsContact O-N 3.15Å; D256-L258 WeakPolarHBondContact OD1-CB 3.37Å; D256-L258 PolarHBondContact OD1-N 2.91Å; D256-C259 HydrophobicContact CB-CB 3.89Å; D256-C259 VanDerWaalsContact CG-SG 3.52Å; D256-C259 WeakPolarHBondContact O-CB 3.28Å; D256-C259 PolarHBondContact O-N 3.21Å; D256-C259 VanDerWaalsContact O-N 3.13Å; D256-C259 PolarHBondContact OD1-N 2.91Å; D256-C259 PolarHBondContact OD2-SG 3.38Å; D256-V260 WeakPolarHBondContact O-CG2 3.29Å; D256-V260 PolarHBondContact O-N 3.19Å; D256-R321 IonicContact OD1-CZ 2.82Å; D256-R321 IonicContact OD1-NH1 3.84Å; D256-R321 PolarHBondContact OD1-NH1 2.92Å; D256-R321 IonicContact OD1-NH2 2.77Å; D256-R321 IonicContact OD2-CZ 3.7Å; D256-R321 IonicContact OD2-NH1 3.25Å; D256-R321 PolarHBondContact OD2-NH1 3.04Å; D256-R321 IonicContact OD2-NH2 2.78Å; D256-R321 PolarHBondContact OD2-NH2 3.31Å
257	V	98.9	Very high	98.9	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.012	5%	0.05	C	C	.	.	H	α-helix	trans	-59.5	-28.1	-178.6	71.5	0	0	0	0	113.5	M66 A97 V100 R261 L318	M66-V257 HydrophobicContact CE-CB 4.39Å; M66-V257 HydrophobicContact CE-CG1 4.27Å; M66-V257 HydrophobicContact SD-CB 4.13Å; M66-V257 HydrophobicContact SD-CG2 4.23Å; A97-V257 HydrophobicContact CB-CB 4.14Å; V100-V257 HydrophobicContact CB-CG2 4.33Å; V100-V257 HydrophobicContact CG1-CG2 4.1Å; V257-R261 VanDerWaalsContact O-CB 3.25Å; V257-R261 WeakPolarHBondContact O-CB 3.49Å; V257-R261 PolarHBondContact O-N 2.9Å; V257-L318 HydrophobicContact CG1-CB 4.47Å; V257-L318 HydrophobicContact CG1-CD1 4.12Å; V257-L318 HydrophobicContact CG1-CD2 4.28Å
258	L	98.9	Very high	98.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-78.5	-39.2	177.6	-58.4	-171.7	0	0	0	111.4	F34 I36 T52 L54 D256 R261 E262	F34-L258 HydrophobicContact CB-CD1 4.05Å; F34-L258 HydrophobicContact CD2-CD1 3.9Å; F34-L258 HydrophobicContact CG-CD1 4.07Å; I36-L258 HydrophobicContact CG2-CB 3.77Å; T52-L258 HydrophobicContact CG2-CB 4.08Å; T52-L258 HydrophobicContact CG2-CD1 4.14Å; L54-L258 HydrophobicContact CB-CD1 4.39Å; L54-L258 HydrophobicContact CB-CD2 4.43Å; L54-L258 HydrophobicContact CD1-CD2 3.98Å; L54-L258 HydrophobicContact CD2-CD1 4.34Å; L54-L258 HydrophobicContact CD2-CD2 4.25Å; L54-L258 HydrophobicContact CG-CD2 4.45Å; D256-L258 PolarHBondContact O-N 2.78Å; D256-L258 VanDerWaalsContact O-N 3.15Å; D256-L258 WeakPolarHBondContact OD1-CB 3.37Å; D256-L258 PolarHBondContact OD1-N 2.91Å; L258-R261 PolarHBondContact O-N 3.48Å; L258-E262 WeakPolarHBondContact O-CG 3.33Å; L258-E262 PolarHBondContact O-N 3.47Å
259	C	98.9	Very high	98.9	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.027	7%	0.07	C	C	.	.	H	α-helix	trans	-57.9	-50.8	171.1	-69.2	0	0	0	0	110.6	E37 V252 D253 D256 R261 E262 A263	E37-C259 PolarHBondContact N-SG 3.48Å; V252-C259 HydrophobicContact CG1-CB 3.96Å; D253-C259 HydrophobicContact CB-CB 4.24Å; D256-C259 HydrophobicContact CB-CB 3.89Å; D256-C259 VanDerWaalsContact CG-SG 3.52Å; D256-C259 WeakPolarHBondContact O-CB 3.28Å; D256-C259 PolarHBondContact O-N 3.21Å; D256-C259 VanDerWaalsContact O-N 3.13Å; D256-C259 PolarHBondContact OD1-N 2.91Å; D256-C259 PolarHBondContact OD2-SG 3.38Å; C259-R261 VanDerWaalsContact C-N 3.35Å; C259-R261 PolarHBondContact O-N 2.84Å; C259-E262 PolarHBondContact O-N 3.24Å; C259-A263 VanDerWaalsContact O-CB 3.26Å; C259-A263 WeakPolarHBondContact O-CB 3.2Å; C259-A263 PolarHBondContact O-N 2.82Å
260	V	98.9	Very high	98.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-44.5	178.6	-178.7	0	0	0	0	110.9	L102 V252 D256 T264 L282	L102-V260 HydrophobicContact CD2-CG1 4.47Å; L102-V260 HydrophobicContact CG-CG1 4.02Å; V252-V260 HydrophobicContact CG1-CG2 4.45Å; D256-V260 WeakPolarHBondContact O-CG2 3.29Å; D256-V260 PolarHBondContact O-N 3.19Å; V260-T264 VanDerWaalsContact O-CB 3.27Å; V260-T264 WeakPolarHBondContact O-CB 3.31Å; V260-T264 PolarHBondContact O-N 2.77Å; V260-T264 PolarHBondContact O-OG1 2.99Å; V260-L282 HydrophobicContact CG1-CD1 4.19Å; V260-L282 HydrophobicContact CG1-CD2 4.32Å; V260-L282 HydrophobicContact CG2-CD2 4.29Å
261	R	98.9	Very high	98.9	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-59.6	-51.3	179.1	-177.2	-171.7	74.2	177.3	-0.5	112.2	T52 V53 E58 Y62 G101 A104 V257 L258 C259 T264 K265	T52-R261 PolarHBondContact OG1-NH2 3.38Å; V53-R261 PolarHBondContact O-NH2 2.79Å; E58-R261 IonicContact OE1-NH1 3.11Å; E58-R261 IonicContact OE2-NH1 2.84Å; Y62-R261 WeakPolarHBondContact OH-CD 3.3Å; G101-R261 WeakPolarHBondContact O-CA 3.48Å; A104-R261 HydrophobicContact CB-CB 4.29Å; A104-R261 HydrophobicContact CB-CG 3.78Å; V257-R261 VanDerWaalsContact O-CB 3.25Å; V257-R261 WeakPolarHBondContact O-CB 3.49Å; V257-R261 PolarHBondContact O-N 2.9Å; L258-R261 PolarHBondContact O-N 3.48Å; C259-R261 VanDerWaalsContact C-N 3.35Å; C259-R261 PolarHBondContact O-N 2.84Å; R261-T264 PolarHBondContact O-N 2.99Å; R261-K265 WeakPolarHBondContact O-CG 3.32Å; R261-K265 PolarHBondContact O-N 2.89Å
262	E	98.9	Very high	98.9	Very high	18 Å²	18	17.2 Å²	17.2	8%	0.084	8%	0.08	C	C	.	.	H	α-helix	trans	-69.3	-38.6	-177	-65.4	-48.4	125.6	0	0	112.1	I36 T52 L258 C259 T264 K265 F266	I36-E262 HydrophobicContact CD1-CB 3.78Å; I36-E262 HydrophobicContact CD1-CG 3.64Å; T52-E262 HydrophobicContact CG2-CG 4.02Å; T52-E262 VanDerWaalsContact OG1-CD 3.24Å; T52-E262 PolarHBondContact OG1-OE1 2.75Å; T52-E262 VanDerWaalsContact OG1-OE1 3.09Å; L258-E262 WeakPolarHBondContact O-CG 3.33Å; L258-E262 PolarHBondContact O-N 3.47Å; C259-E262 PolarHBondContact O-N 3.24Å; E262-T264 VanDerWaalsContact C-N 3.29Å; E262-T264 PolarHBondContact O-N 2.65Å; E262-K265 PolarHBondContact O-N 2.93Å; E262-K265 IonicContact OE1-NZ 3.74Å; E262-K265 PolarHBondContact OE1-NZ 2.87Å; E262-K265 IonicContact OE2-NZ 3.09Å; E262-F266 WeakPolarHBondContact O-CB 3.45Å; E262-F266 PolarHBondContact O-N 2.78Å
263	A	98.9	Very high	98.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-39.1	172.4	0	0	0	0	0	112.4	P48 L250 V252 C259 F266 A267 M280	P48-A263 HydrophobicContact CG-CB 4.16Å; L250-A263 HydrophobicContact CD1-CB 3.77Å; V252-A263 HydrophobicContact CB-CB 4.37Å; V252-A263 HydrophobicContact CG1-CB 3.84Å; V252-A263 HydrophobicContact CG2-CB 3.53Å; C259-A263 VanDerWaalsContact O-CB 3.26Å; C259-A263 WeakPolarHBondContact O-CB 3.2Å; C259-A263 PolarHBondContact O-N 2.82Å; A263-F266 PolarHBondContact O-N 3.01Å; A263-A267 WeakPolarHBondContact O-CB 3.48Å; A263-A267 PolarHBondContact O-N 3.24Å; A263-M280 HydrophobicContact CB-SD 3.68Å
264	T	98.9	Very high	98.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-45.5	177.3	-56.7	0	0	0	0	111.6	L102 I106 L189 V260 R261 E262 F266 A267 A268	L102-T264 HydrophobicContact CD2-CG2 4.06Å; L102-T264 WeakPolarHBondContact CD2-OG1 3.21Å; I106-T264 HydrophobicContact CG2-CG2 3.64Å; L189-T264 HydrophobicContact CD2-CG2 4.4Å; V260-T264 VanDerWaalsContact O-CB 3.27Å; V260-T264 WeakPolarHBondContact O-CB 3.31Å; V260-T264 PolarHBondContact O-N 2.77Å; V260-T264 PolarHBondContact O-OG1 2.99Å; R261-T264 PolarHBondContact O-N 2.99Å; E262-T264 VanDerWaalsContact C-N 3.29Å; E262-T264 PolarHBondContact O-N 2.65Å; T264-F266 VanDerWaalsContact C-N 3.32Å; T264-F266 PolarHBondContact O-N 2.8Å; T264-A267 PolarHBondContact O-N 3.32Å; T264-A268 WeakPolarHBondContact O-CB 3.37Å; T264-A268 PolarHBondContact O-N 3.44Å
265	K	98.9	Very high	98.9	Very high	67 Å²	67	27.2 Å²	27.2	29%	0.291	14%	0.144	S	C	.	.	H	α-helix	trans	-56.9	-47.5	175.1	-72.6	174.7	-178.7	168	0	111	R261 E262 A268 D269	R261-K265 WeakPolarHBondContact O-CG 3.32Å; R261-K265 PolarHBondContact O-N 2.89Å; E262-K265 PolarHBondContact O-N 2.93Å; E262-K265 IonicContact OE1-NZ 3.74Å; E262-K265 PolarHBondContact OE1-NZ 2.87Å; E262-K265 IonicContact OE2-NZ 3.09Å; K265-A268 PolarHBondContact O-N 2.96Å; K265-D269 WeakPolarHBondContact O-CB 3.49Å; K265-D269 PolarHBondContact O-N 2.96Å
266	F	98.9	Very high	98.9	Very high	51 Å²	51	27.1 Å²	27.1	22%	0.224	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-51.3	177.1	175.9	-89.3	0	0	0	112.3	L44 E46 P48 L250 E262 A263 T264 A268 D269 Y270 I278	L44-F266 HydrophobicContact CD1-CE1 4.1Å; L44-F266 HydrophobicContact CD1-CZ 4.44Å; E46-F266 WeakPolarHBondContact O-CZ 3.26Å; P48-F266 HydrophobicContact CB-CB 4.16Å; P48-F266 HydrophobicContact CB-CG 4.43Å; P48-F266 HydrophobicContact CG-CB 3.87Å; P48-F266 HydrophobicContact CG-CD1 4.12Å; P48-F266 HydrophobicContact CG-CD2 4.45Å; P48-F266 HydrophobicContact CG-CG 3.9Å; L250-F266 HydrophobicContact CD2-CD1 4.34Å; L250-F266 HydrophobicContact CD2-CE1 4.37Å; E262-F266 WeakPolarHBondContact O-CB 3.45Å; E262-F266 PolarHBondContact O-N 2.78Å; A263-F266 PolarHBondContact O-N 3.01Å; T264-F266 VanDerWaalsContact C-N 3.32Å; T264-F266 PolarHBondContact O-N 2.8Å; F266-A268 VanDerWaalsContact C-N 3.31Å; F266-A268 PolarHBondContact O-N 2.99Å; F266-D269 PolarHBondContact O-N 3.37Å; F266-Y270 WeakPolarHBondContact O-CB 3.39Å; F266-Y270 PolarHBondContact O-N 3.3Å; F266-I278 HydrophobicContact CD1-CD1 4.45Å; F266-I278 HydrophobicContact CE1-CD1 4.03Å
267	A	98.9	Very high	98.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.9	-36	-179.7	0	0	0	0	0	112.4	V217 A263 T264 Y270 C271 I278	V217-A267 HydrophobicContact CG1-CB 3.93Å; V217-A267 HydrophobicContact CG2-CB 4.14Å; A263-A267 WeakPolarHBondContact O-CB 3.48Å; A263-A267 PolarHBondContact O-N 3.24Å; T264-A267 PolarHBondContact O-N 3.32Å; A267-Y270 WeakPolarHBondContact O-CB 3.37Å; A267-C271 PolarHBondContact O-N 3.39Å; A267-C271 VanDerWaalsContact O-N 3.08Å; A267-C271 PolarHBondContact O-SG 3.32Å; A267-C271 VanDerWaalsContact O-SG 3.41Å; A267-I278 HydrophobicContact CB-CG2 3.79Å
268	A	98.9	Very high	98.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-48.1	175.9	0	0	0	0	0	111.3	I187 T264 K265 F266 Y270 C271 R272	I187-A268 HydrophobicContact CD1-CB 3.38Å; T264-A268 WeakPolarHBondContact O-CB 3.37Å; T264-A268 PolarHBondContact O-N 3.44Å; K265-A268 PolarHBondContact O-N 2.96Å; F266-A268 VanDerWaalsContact C-N 3.31Å; F266-A268 PolarHBondContact O-N 2.99Å; A268-Y270 VanDerWaalsContact C-N 3.33Å; A268-Y270 PolarHBondContact O-N 2.99Å; A268-C271 PolarHBondContact O-N 3.06Å; A268-R272 WeakPolarHBondContact O-CB 3.46Å; A268-R272 WeakPolarHBondContact O-CG 3.5Å; A268-R272 PolarHBondContact O-N 2.83Å
269	D	98.9	Very high	98.9	Very high	94 Å²	94	27.1 Å²	27.1	50%	0.503	14%	0.144	S	C	.	.	H	α-helix	trans	-67.2	-34.9	178.2	-68.9	-15.3	0	0	0	112.1	K265 F266 C271 R272 S273	K265-D269 WeakPolarHBondContact O-CB 3.49Å; K265-D269 PolarHBondContact O-N 2.96Å; F266-D269 PolarHBondContact O-N 3.37Å; D269-C271 PolarHBondContact O-N 3.29Å; D269-R272 PolarHBondContact O-N 3.13Å; D269-R272 IonicContact OD1-NH1 3.23Å; D269-R272 PolarHBondContact OD1-NH1 2.85Å; D269-S273 WeakPolarHBondContact O-CB 3.39Å; D269-S273 PolarHBondContact O-N 3.43Å; D269-S273 PolarHBondContact O-OG 3.39Å
270	Y	98.9	Very high	98.9	Very high	41 Å²	41	27 Å²	27	16%	0.161	14%	0.143	C	C	.	.	H	α-helix	trans	-54.8	-52.3	169.5	-177.3	-82.9	0	0	0	111.1	L44 P248 F266 A267 A268 S273 K275 G276 I278	L44-Y270 HydrophobicContact CD2-CE2 4.19Å; P248-Y270 HydrophobicContact CG-CE1 4.3Å; P248-Y270 HydrophobicContact CG-CE2 4.43Å; P248-Y270 WeakPolarHBondContact CG-OH 3.4Å; F266-Y270 WeakPolarHBondContact O-CB 3.39Å; F266-Y270 PolarHBondContact O-N 3.3Å; A267-Y270 WeakPolarHBondContact O-CB 3.37Å; A268-Y270 VanDerWaalsContact C-N 3.33Å; A268-Y270 PolarHBondContact O-N 2.99Å; Y270-S273 PolarHBondContact O-N 3.39Å; Y270-S273 PolarHBondContact O-OG 2.99Å; Y270-K275 HydrophobicContact CD1-CB 3.99Å; Y270-K275 HydrophobicContact CD2-CB 4.26Å; Y270-K275 HydrophobicContact CD2-CD 3.74Å; Y270-K275 HydrophobicContact CE1-CB 3.5Å; Y270-K275 HydrophobicContact CE2-CB 3.8Å; Y270-K275 HydrophobicContact CE2-CD 3.5Å; Y270-K275 VanDerWaalsContact CE2-CD 3.5Å; Y270-K275 HydrophobicContact CE2-CG 4.31Å; Y270-K275 HydrophobicContact CG-CB 4.33Å; Y270-K275 HydrophobicContact CG-CD 4.41Å; Y270-G276 WeakPolarHBondContact CE1-O 3.38Å; Y270-I278 HydrophobicContact CD1-CB 3.93Å; Y270-I278 HydrophobicContact CD1-CD1 4.27Å; Y270-I278 HydrophobicContact CD1-CG2 4.23Å; Y270-I278 HydrophobicContact CD2-CD1 4.34Å; Y270-I278 HydrophobicContact CE1-CB 4.16Å; Y270-I278 HydrophobicContact CG-CD1 4.08Å
271	C	98.9	Very high	98.9	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.027	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-46.2	179	-73.5	0	0	0	0	112.5	I187 P215 V217 A267 A268 D269 S273 G274 G276	I187-C271 HydrophobicContact CB-CB 4.43Å; I187-C271 HydrophobicContact CG2-CB 3.74Å; P215-C271 HydrophobicContact CB-CB 4.07Å; V217-C271 VanDerWaalsContact CG2-SG 3.51Å; A267-C271 PolarHBondContact O-N 3.39Å; A267-C271 VanDerWaalsContact O-N 3.08Å; A267-C271 PolarHBondContact O-SG 3.32Å; A267-C271 VanDerWaalsContact O-SG 3.41Å; A268-C271 PolarHBondContact O-N 3.06Å; D269-C271 PolarHBondContact O-N 3.29Å; C271-S273 PolarHBondContact O-N 2.94Å; C271-G274 PolarHBondContact O-N 3.06Å; C271-G276 PolarHBondContact SG-O 3.02Å
272	R	98.7	Very high	98.9	Very high	50 Å²	50	27 Å²	27	19%	0.189	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-31.6	178.3	-71.2	-177.6	-164.1	116.6	1.6	112.5	N107 D110 N185 I187 A268 D269 G274	N107-R272 PolarHBondContact ND2-NH2 3.29Å; D110-R272 IonicContact OD1-NH2 3.85Å; D110-R272 IonicContact OD2-CZ 2.67Å; D110-R272 IonicContact OD2-NH2 2.95Å; D110-R272 PolarHBondContact OD2-NH2 3.24Å; N185-R272 WeakPolarHBondContact OD1-CB 3.35Å; N185-R272 PolarHBondContact OD1-O 3.28Å; I187-R272 HydrophobicContact CG2-CG 3.67Å; A268-R272 WeakPolarHBondContact O-CB 3.46Å; A268-R272 WeakPolarHBondContact O-CG 3.5Å; A268-R272 PolarHBondContact O-N 2.83Å; D269-R272 PolarHBondContact O-N 3.13Å; D269-R272 IonicContact OD1-NH1 3.23Å; D269-R272 PolarHBondContact OD1-NH1 2.85Å; R272-G274 PolarHBondContact O-N 3.02Å
273	S	98.6	Very high	98.9	Very high	64 Å²	64	29.4 Å²	29.4	45%	0.448	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	0.7	174.8	74.4	0	0	0	0	114.5	D269 Y270 C271 K275	D269-S273 WeakPolarHBondContact O-CB 3.39Å; D269-S273 PolarHBondContact O-N 3.43Å; D269-S273 PolarHBondContact O-OG 3.39Å; Y270-S273 PolarHBondContact O-N 3.39Å; Y270-S273 PolarHBondContact O-OG 2.99Å; C271-S273 PolarHBondContact O-N 2.94Å; S273-K275 VanDerWaalsContact C-N 3.33Å; S273-K275 PolarHBondContact O-N 3.44Å; S273-K275 WeakPolarHBondContact OG-CG 3.49Å; S273-K275 PolarHBondContact OG-NZ 2.85Å
274	G	98.6	Very high	98.9	Very high	46 Å²	46	29.7 Å²	29.7	47%	0.474	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	12.5	175.6	0	0	0	0	0	114.7	C271 R272 G276	C271-G274 PolarHBondContact O-N 3.06Å; R272-G274 PolarHBondContact O-N 3.02Å; G274-G276 PolarHBondContact O-N 3.37Å
275	K	98.8	Very high	98.9	Very high	121 Å²	121	30 Å²	30	53%	0.526	16%	0.157	S	C	.	.			trans	-72.8	-6.2	178.5	-65.9	-176.2	-173.6	90.3	0	113.6	Y270 S273	Y270-K275 HydrophobicContact CD1-CB 3.99Å; Y270-K275 HydrophobicContact CD2-CB 4.26Å; Y270-K275 HydrophobicContact CD2-CD 3.74Å; Y270-K275 HydrophobicContact CE1-CB 3.5Å; Y270-K275 HydrophobicContact CE2-CB 3.8Å; Y270-K275 HydrophobicContact CE2-CD 3.5Å; Y270-K275 VanDerWaalsContact CE2-CD 3.5Å; Y270-K275 HydrophobicContact CE2-CG 4.31Å; Y270-K275 HydrophobicContact CG-CB 4.33Å; Y270-K275 HydrophobicContact CG-CD 4.41Å; S273-K275 VanDerWaalsContact C-N 3.33Å; S273-K275 PolarHBondContact O-N 3.44Å; S273-K275 WeakPolarHBondContact OG-CG 3.49Å; S273-K275 PolarHBondContact OG-NZ 2.85Å
276	G	98.8	Very high	98.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	14%	0.143	C	C	.	.			trans	93.4	-157.8	179.4	0	0	0	0	0	112.5	L214 Y270 C271 G274	L214-G276 CarbonylContact O-C 3.55Å; Y270-G276 WeakPolarHBondContact CE1-O 3.38Å; C271-G276 PolarHBondContact SG-O 3.02Å; G274-G276 PolarHBondContact O-N 3.37Å
277	P	98.9	Very high	98.8	Very high	7 Å²	7	24.8 Å²	24.8	5%	0.045	13%	0.134	C	C	.	.			trans	-76.3	163.3	-174	33.1	-37.6	0	0	0	112.2	A209 A210 L214 C216 F218 I247	A209-P277 HydrophobicContact CB-CB 4.13Å; A209-P277 HydrophobicContact CB-CG 4.01Å; A209-P277 WeakPolarHBondContact O-CD 3.42Å; A210-P277 HydrophobicContact CB-CG 4.25Å; L214-P277 VanDerWaalsContact O-N 3.1Å; C216-P277 HydrophobicContact CB-CB 4.39Å; C216-P277 WeakPolarHBondContact O-CA 3.27Å; C216-P277 VanDerWaalsContact O-CB 3.25Å; C216-P277 WeakPolarHBondContact O-CB 3.1Å; F218-P277 HydrophobicContact CD2-CB 4.11Å; F218-P277 HydrophobicContact CE2-CB 3.88Å; I247-P277 HydrophobicContact CD1-CB 4.36Å; I247-P277 HydrophobicContact CD1-CG 3.88Å; I247-P277 HydrophobicContact CG1-CG 4.22Å; I247-P277 HydrophobicContact CG2-CB 4.24Å; I247-P277 HydrophobicContact CG2-CG 4.08Å; I247-P277 WeakPolarHBondContact CG2-O 3.39Å
278	I	98.9	Very high	98.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.8	174.8	-170.5	171.3	0	0	0	109.6	L44 C216 V217 F218 P248 L250 F266 A267 Y270	L44-I278 HydrophobicContact CD1-CD1 4.22Å; C216-I278 PolarHBondContact O-N 2.96Å; V217-I278 CarbonylContact C-O 3.11Å; V217-I278 WeakPolarHBondContact CA-O 3.49Å; V217-I278 HydrophobicContact CB-CG2 4.36Å; V217-I278 HydrophobicContact CG1-CG2 4.13Å; V217-I278 HydrophobicContact CG2-CG2 3.99Å; F218-I278 PolarHBondContact N-O 2.71Å; P248-I278 HydrophobicContact CG-CG1 4.37Å; P248-I278 WeakPolarHBondContact O-CA 3.46Å; P248-I278 WeakPolarHBondContact O-CG1 3.45Å; L250-I278 HydrophobicContact CD2-CD1 3.55Å; L250-I278 HydrophobicContact CD2-CG1 4.01Å; F266-I278 HydrophobicContact CD1-CD1 4.45Å; F266-I278 HydrophobicContact CE1-CD1 4.03Å; A267-I278 HydrophobicContact CB-CG2 3.79Å; Y270-I278 HydrophobicContact CD1-CB 3.93Å; Y270-I278 HydrophobicContact CD1-CD1 4.27Å; Y270-I278 HydrophobicContact CD1-CG2 4.23Å; Y270-I278 HydrophobicContact CD2-CD1 4.34Å; Y270-I278 HydrophobicContact CE1-CB 4.16Å; Y270-I278 HydrophobicContact CG-CD1 4.08Å
279	L	98.9	Very high	98.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.2	173.5	-91.3	69.4	0	0	0	111.4	F206 F218 G244 I247 P248 G249 L250	F206-L279 HydrophobicContact CD1-CD1 4.35Å; F206-L279 HydrophobicContact CE1-CD1 4.06Å; F206-L279 HydrophobicContact CE1-CG 4.46Å; F206-L279 HydrophobicContact CE2-CD2 4.26Å; F206-L279 HydrophobicContact CZ-CD1 4.27Å; F206-L279 HydrophobicContact CZ-CD2 3.97Å; F206-L279 HydrophobicContact CZ-CG 4.34Å; F218-L279 HydrophobicContact CB-CD1 3.92Å; F218-L279 HydrophobicContact CB-CG 3.98Å; F218-L279 HydrophobicContact CD2-CD1 4.12Å; F218-L279 HydrophobicContact CG-CD1 4.41Å; F218-L279 CarbonylContact O-C 3.59Å; F218-L279 VanDerWaalsContact O-CA 3.29Å; F218-L279 WeakPolarHBondContact O-CA 3.48Å; G244-L279 VanDerWaalsContact N-CD2 3.3Å; I247-L279 HydrophobicContact CB-CD1 3.79Å; I247-L279 HydrophobicContact CD1-CD1 4.06Å; I247-L279 HydrophobicContact CG2-CD1 3.45Å; I247-L279 VanDerWaalsContact CG2-CD1 3.45Å; P248-L279 PolarHBondContact O-N 2.63Å; G249-L279 CarbonylContact C-O 3.53Å; G249-L279 WeakPolarHBondContact CA-O 3.46Å; L250-L279 PolarHBondContact N-O 2.84Å
280	M	98.9	Very high	98.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	117.4	172.1	-172.4	167.1	62.1	0	0	109.8	L102 F218 I219 C220 L250 V252 A263 L282	L102-M280 HydrophobicContact CD2-CE 3.61Å; F218-M280 PolarHBondContact O-N 3.29Å; I219-M280 CarbonylContact C-O 3.47Å; I219-M280 WeakPolarHBondContact CA-O 3.38Å; I219-M280 HydrophobicContact CD1-CE 3.59Å; I219-M280 HydrophobicContact CG1-CB 4.33Å; I219-M280 HydrophobicContact CG1-CE 3.93Å; I219-M280 HydrophobicContact CG2-CE 4.44Å; C220-M280 PolarHBondContact N-O 3.28Å; L250-M280 HydrophobicContact CD1-CG 4.43Å; L250-M280 HydrophobicContact CD1-SD 4.47Å; L250-M280 HydrophobicContact CG-CG 4.29Å; L250-M280 CarbonylContact O-C 3.57Å; L250-M280 WeakPolarHBondContact O-CA 3.24Å; V252-M280 HydrophobicContact CG2-CG 3.67Å; V252-M280 HydrophobicContact CG2-SD 4.03Å; A263-M280 HydrophobicContact CB-SD 3.68Å; M280-L282 HydrophobicContact CE-CD2 4.11Å; M280-L282 HydrophobicContact CG-CD2 3.88Å; M280-L282 HydrophobicContact SD-CD2 4.09Å
281	E	98.9	Very high	98.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.9	171.6	179.7	-175.3	164.7	0	0	109.3	C220 N222 Y240 Y241 L250 K251 V252 Q283	C220-E281 WeakPolarHBondContact O-CA 3.49Å; N222-E281 HydrophobicContact CB-CG 4.03Å; N222-E281 PolarHBondContact ND2-OE1 3.17Å; Y240-E281 WeakPolarHBondContact CB-OE2 3.09Å; Y240-E281 PolarHBondContact N-OE2 3.31Å; Y241-E281 WeakPolarHBondContact CD1-OE2 3.44Å; Y241-E281 PolarHBondContact N-OE2 3.32Å; Y241-E281 VanDerWaalsContact N-OE2 3.11Å; L250-E281 PolarHBondContact O-N 3.41Å; K251-E281 HydrophobicContact CB-CB 4.48Å; K251-E281 HydrophobicContact CG-CB 4.15Å; K251-E281 HydrophobicContact CG-CG 4.2Å; V252-E281 PolarHBondContact N-O 2.96Å; E281-Q283 HydrophobicContact CG-CG 4.31Å
282	L	98.9	Very high	98.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	107.9	171.3	-57.4	-172.6	0	0	0	108.5	C98 L102 I219 C220 N222 V252 V260 M280 T284	C98-L282 HydrophobicContact CB-CD1 3.94Å; L102-L282 HydrophobicContact CD1-CD1 3.96Å; L102-L282 HydrophobicContact CG-CD1 4.31Å; I219-L282 HydrophobicContact CG2-CD1 3.89Å; I219-L282 HydrophobicContact CG2-CG 3.85Å; C220-L282 PolarHBondContact O-N 3.26Å; N222-L282 PolarHBondContact N-O 2.87Å; V252-L282 HydrophobicContact CB-CD2 3.79Å; V252-L282 HydrophobicContact CG1-CD2 4.15Å; V252-L282 HydrophobicContact CG2-CD2 4.16Å; V260-L282 HydrophobicContact CG1-CD1 4.19Å; V260-L282 HydrophobicContact CG1-CD2 4.32Å; V260-L282 HydrophobicContact CG2-CD2 4.29Å; M280-L282 HydrophobicContact CE-CD2 4.11Å; M280-L282 HydrophobicContact CG-CD2 3.88Å; M280-L282 HydrophobicContact SD-CD2 4.09Å; L282-T284 PolarHBondContact O-N 2.91Å
283	Q	98.9	Very high	98.6	Very high	67 Å²	67	25.9 Å²	25.9	31%	0.313	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	100.5	175.1	-62.8	-167.4	-72.9	0	0	109.3	K251 V252 G254 E281	K251-Q283 VanDerWaalsContact CD-CD 3.48Å; K251-Q283 HydrophobicContact CD-CG 4.06Å; K251-Q283 VanDerWaalsContact CE-OE1 3.32Å; K251-Q283 HydrophobicContact CG-CG 3.81Å; V252-Q283 PolarHBondContact O-N 3.29Å; G254-Q283 WeakPolarHBondContact CA-O 3.25Å; G254-Q283 PolarHBondContact N-O 2.95Å; E281-Q283 HydrophobicContact CG-CG 4.31Å
284	T	98.9	Very high	98.5	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.043	14%	0.138	C	C	.	.			trans	-129.5	-172.6	-172.9	-167.3	0	0	0	0	111	Q95 N222 N223 G254 L282	Q95-T284 HydrophobicContact CB-CG2 4.4Å; Q95-T284 HydrophobicContact CG-CG2 3.85Å; N222-T284 PolarHBondContact O-N 3.13Å; N222-T284 VanDerWaalsContact O-O 3.11Å; N223-T284 WeakPolarHBondContact CA-O 3.38Å; N223-T284 HydrophobicContact CB-CG2 4.28Å; G254-T284 PolarHBondContact O-OG1 3.4Å; L282-T284 PolarHBondContact O-N 2.91Å
285	Y	98.9	Very high	98.4	Very high	6 Å²	6	27 Å²	27	2%	0.024	15%	0.148	C	C	.	.			trans	-151.1	138	179.4	-158.2	-89.9	0	0	0	112.4	G94 Q95 L224 Y225 M255 Y287 R300 E304 I305 V308	G94-Y285 CarbonylContact C-O 3.55Å; G94-Y285 VanDerWaalsContact CA-O 3.32Å; G94-Y285 WeakPolarHBondContact CA-O 3.34Å; Q95-Y285 VanDerWaalsContact CG-O 3.31Å; Q95-Y285 WeakPolarHBondContact CG-O 3.48Å; L224-Y285 HydrophobicContact CD1-CD2 4.05Å; L224-Y285 HydrophobicContact CD1-CE2 4.01Å; L224-Y285 HydrophobicContact CG-CD2 4.49Å; Y225-Y285 HydrophobicContact CE2-CE2 4.2Å; M255-Y285 PolarHBondContact SD-N 3.49Å; Y285-Y287 HydrophobicContact CD1-CD1 4.16Å; Y285-R300 VanDerWaalsContact CE1-NH1 3.3Å; Y285-R300 VanDerWaalsContact CZ-NH1 3.3Å; Y285-R300 WeakPolarHBondContact OH-CD 3.36Å; Y285-R300 PolarHBondContact OH-NH1 3.4Å; Y285-R300 VanDerWaalsContact OH-NH1 3.13Å; Y285-E304 WeakPolarHBondContact CE2-OE1 3.47Å; Y285-E304 PolarHBondContact OH-OE1 2.98Å; Y285-I305 HydrophobicContact CE1-CB 4.47Å; Y285-I305 HydrophobicContact CE1-CG1 4.12Å; Y285-I305 HydrophobicContact CE1-CG2 4.49Å; Y285-V308 HydrophobicContact CD1-CB 4.31Å; Y285-V308 HydrophobicContact CD1-CG1 4Å; Y285-V308 HydrophobicContact CD2-CG1 4.42Å; Y285-V308 HydrophobicContact CD2-CG2 4.15Å; Y285-V308 HydrophobicContact CE2-CG2 4.23Å; Y285-V308 HydrophobicContact CG-CB 4.37Å; Y285-V308 HydrophobicContact CG-CG1 3.81Å; Y285-V308 HydrophobicContact CG-CG2 4.28Å
286	R	98.7	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.			trans	-98.1	129	171.6	55	179.4	177.1	91.9	-8.4	110.9	N223 Y225 M227 H288 G289 Y299 R300	N223-R286 HydrophobicContact CB-CG 4.29Å; N223-R286 WeakPolarHBondContact OD1-CD 3.25Å; N223-R286 PolarHBondContact OD1-NE 3.2Å; Y225-R286 VanDerWaalsContact CB-NH2 3.35Å; Y225-R286 PolarHBondContact O-NH2 3.23Å; M227-R286 PolarHBondContact O-NH2 3.33Å; R286-H288 PolarHBondContact NH1-O 3.44Å; R286-G289 VanDerWaalsContact NH1-CA 3.25Å; R286-G289 PolarHBondContact NH1-O 3Å; R286-Y299 PolarHBondContact NH1-OH 2.68Å; R286-Y299 PolarHBondContact NH2-OH 3.1Å; R286-Y299 VanDerWaalsContact NH2-OH 3.17Å; R286-R300 PolarHBondContact O-NH1 3.37Å; R286-R300 PolarHBondContact O-NH2 2.85Å
287	Y	98.7	Very high	98.2	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.035	14%	0.141	C	C	.	.	S	Bend	trans	-76	-42.8	178.3	-60.3	-34	0	0	0	112.6	D93 G94 Y285 R300 I305 V308 R309 D313	D93-Y287 HydrophobicContact CB-CD2 4.43Å; D93-Y287 PolarHBondContact O-N 3.37Å; G94-Y287 VanDerWaalsContact CA-CE2 3.47Å; Y285-Y287 HydrophobicContact CD1-CD1 4.16Å; Y287-R300 PolarHBondContact O-NH2 3.36Å; Y287-I305 HydrophobicContact CD1-CG2 4.35Å; Y287-V308 HydrophobicContact CE1-CG1 4.37Å; Y287-R309 VanDerWaalsContact CB-NH2 3.28Å; Y287-R309 HydrophobicContact CD1-CB 4.34Å; Y287-R309 HydrophobicContact CE1-CB 3.78Å; Y287-R309 HydrophobicContact CE1-CG 4.27Å; Y287-R309 HydrophobicContact CE2-CG 4.23Å; Y287-D313 WeakPolarHBondContact OH-CA 3.31Å; Y287-D313 WeakPolarHBondContact OH-CB 3.46Å; Y287-D313 PolarHBondContact OH-OD2 3.36Å
288	H	98.6	Very high	98.1	Very high	45 Å²	45	29 Å²	29	21%	0.208	18%	0.175	C	C	.	.	S	Bend	trans	-72.8	163.9	173.5	-74.2	81.4	0	0	0	112.1	D77 L91 D93 R286 R300	D77-H288 IonicContact OD1-NE2 3.93Å; L91-H288 HydrophobicContact CB-CB 4.43Å; L91-H288 HydrophobicContact CD1-CB 4.41Å; D93-H288 IonicContact OD1-CE1 2.73Å; D93-H288 IonicContact OD1-CG 2.78Å; D93-H288 IonicContact OD1-ND1 3.74Å; D93-H288 PolarHBondContact OD1-ND1 3.3Å; D93-H288 IonicContact OD2-CE1 2.7Å; D93-H288 PolarHBondContact OD2-CE1 3.48Å; D93-H288 VanDerWaalsContact OD2-CE1 3.23Å; D93-H288 IonicContact OD2-ND1 3.88Å; D93-H288 PolarHBondContact OD2-ND1 3.29Å; R286-H288 PolarHBondContact NH1-O 3.44Å; H288-R300 PolarHBondContact O-NH2 3.31Å
289	G	98.4	Very high	98.1	Very high	6 Å²	6	31 Å²	31	6%	0.062	18%	0.182	C	C	.	.			trans	-58.5	-175.8	167.5	0	0	0	0	0	112.5	R286 S291 D294	R286-G289 VanDerWaalsContact NH1-CA 3.25Å; R286-G289 PolarHBondContact NH1-O 3Å; G289-S291 VanDerWaalsContact C-N 3.31Å; G289-S291 PolarHBondContact O-N 2.71Å; G289-D294 WeakPolarHBondContact CA-O 3.45Å
290	H	98.6	Very high	98	Very high	25 Å²	25	31.5 Å²	31.5	12%	0.116	18%	0.184	C	C	.	.	S	Bend	trans	-56.5	-50.3	-175.1	177.3	70.5	0	0	0	111.2	H90 Y116 R117 M227 D294	H90-H290 PolarHBondContact CD2-O 2.84Å; H90-H290 VanDerWaalsContact CD2-O 3.29Å; H90-H290 AromaticContact NE2-NE2 3.97Å; Y116-H290 AromaticContact CZ-CE1 3.88Å; Y116-H290 PolarHBondContact OH-CE1 3.33Å; R117-H290 PolarHBondContact NH1-O 3.37Å; R117-H290 PolarHBondContact NH2-O 3.02Å; M227-H290 WeakPolarHBondContact CA-ND1 3.12Å; M227-H290 HydrophobicContact CB-CB 4.43Å; M227-H290 HydrophobicContact CG-CB 4.09Å; H290-D294 HydrophobicContact CB-CB 4.16Å; H290-D294 VanDerWaalsContact CB-OD2 3.3Å; H290-D294 WeakPolarHBondContact CB-OD2 3.41Å; H290-D294 PolarHBondContact N-OD2 3.21Å
291	S	97.9	Very high	98	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.063	21%	0.208	C	C	.	.	S	Bend	trans	-140.1	178.1	174.5	72.9	0	0	0	0	109	C89 G289 S293 D294	C89-S291 WeakPolarHBondContact O-CA 3.34Å; G289-S291 VanDerWaalsContact C-N 3.31Å; G289-S291 PolarHBondContact O-N 2.71Å; S291-S293 PolarHBondContact O-N 3.09Å; S291-S293 VanDerWaalsContact O-N 3.09Å; S291-S293 PolarHBondContact OG-N 2.86Å; S291-S293 PolarHBondContact OG-OG 2.96Å; S291-D294 PolarHBondContact O-N 3.09Å
292	M	98.1	Very high	97.9	Very high	33 Å²	33	43.9 Å²	43.9	16%	0.163	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.6	176.3	-72.7	-53.8	-62.1	0	0	115.5	D77 Y80 K81 C89 L91	D77-M292 HydrophobicContact CB-CE 4.28Å; D77-M292 HydrophobicContact CB-SD 4.36Å; D77-M292 WeakPolarHBondContact OD1-CE 3.46Å; Y80-M292 HydrophobicContact CD1-CB 3.56Å; Y80-M292 HydrophobicContact CD1-CE 3.91Å; Y80-M292 HydrophobicContact CD1-CG 3.91Å; Y80-M292 HydrophobicContact CD2-CB 3.86Å; Y80-M292 HydrophobicContact CD2-CG 3.77Å; Y80-M292 HydrophobicContact CE1-CB 3.46Å; Y80-M292 VanDerWaalsContact CE1-CB 3.46Å; Y80-M292 HydrophobicContact CE1-CG 4.29Å; Y80-M292 HydrophobicContact CE2-CB 3.78Å; Y80-M292 HydrophobicContact CE2-CG 4.18Å; Y80-M292 HydrophobicContact CG-CB 3.77Å; Y80-M292 HydrophobicContact CG-CE 4.13Å; Y80-M292 HydrophobicContact CG-CG 3.64Å; K81-M292 HydrophobicContact CG-CE 4.34Å; C89-M292 HydrophobicContact CB-CB 4.32Å; C89-M292 HydrophobicContact CB-CG 3.66Å; C89-M292 PolarHBondContact O-N 3.23Å; L91-M292 HydrophobicContact CD1-SD 3.72Å; L91-M292 HydrophobicContact CG-SD 4.25Å
293	S	95.9	Very high	97.8	Very high	94 Å²	94	50 Å²	50	66%	0.657	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-8.2	174.4	63.9	0	0	0	0	113.6	S291	S291-S293 PolarHBondContact O-N 3.09Å; S291-S293 VanDerWaalsContact O-N 3.09Å; S291-S293 PolarHBondContact OG-N 2.86Å; S291-S293 PolarHBondContact OG-OG 2.96Å
294	D	97.2	Very high	97.8	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.144	27%	0.269	C	S	.	.			trans	-110.8	112.8	-178	172.8	25	0	0	0	110.4	G289 H290 S291 G296 Y299	G289-D294 WeakPolarHBondContact CA-O 3.45Å; H290-D294 HydrophobicContact CB-CB 4.16Å; H290-D294 VanDerWaalsContact CB-OD2 3.3Å; H290-D294 WeakPolarHBondContact CB-OD2 3.41Å; H290-D294 PolarHBondContact N-OD2 3.21Å; S291-D294 PolarHBondContact O-N 3.09Å; D294-G296 PolarHBondContact O-N 3.26Å; D294-G296 WeakPolarHBondContact OD1-CA 3.28Å; D294-G296 PolarHBondContact OD1-N 3.06Å; D294-Y299 WeakPolarHBondContact OD2-CE1 3.5Å; D294-Y299 PolarHBondContact OD2-OH 2.84Å
295	P	95.8	Very high	97.8	Very high	106 Å²	106	50 Å²	50	69%	0.688	27%	0.273	S	S	*	.			trans	-63.5	-21.1	174.6	-24.2	35.5	0	0	0	114.3	V297	P295-V297 HydrophobicContact CB-CG2 4.21Å; P295-V297 PolarHBondContact O-N 3.26Å
296	G	96.9	Very high	97.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	71.9	22.7	174.4	0	0	0	0	0	116.1	D294 Y299 R300	D294-G296 PolarHBondContact O-N 3.26Å; D294-G296 WeakPolarHBondContact OD1-CA 3.28Å; D294-G296 PolarHBondContact OD1-N 3.06Å; G296-Y299 WeakPolarHBondContact CA-OH 3.27Å; G296-R300 WeakPolarHBondContact O-CG 3.28Å; G296-R300 PolarHBondContact O-NE 2.9Å; G296-R300 VanDerWaalsContact O-NE 3.09Å
297	V	96.9	Very high	97.7	Very high	61 Å²	61	59.7 Å²	59.7	37%	0.37	32%	0.318	S	S	.	.			trans	-119.6	-1.8	-177.2	-62.2	0	0	0	0	114.3	P295 R300 R302	P295-V297 HydrophobicContact CB-CG2 4.21Å; P295-V297 PolarHBondContact O-N 3.26Å; V297-R300 CarbonylContact C-O 3.56Å; V297-R300 WeakPolarHBondContact CA-O 3.28Å; V297-R302 HydrophobicContact CG1-CG 3.9Å
298	S	97.6	Very high	97.7	Very high	109 Å²	109	60.7 Å²	60.7	76%	0.762	33%	0.325	S	S	*	.	S	Bend	trans	-82.3	-16.4	177.4	53.7	0	0	0	0	113.3
299	Y	97.5	Very high	97.6	Very high	42 Å²	42	62.9 Å²	62.9	17%	0.165	33%	0.332	C	S	.	.	S	Bend	trans	-130.5	2.6	-172.8	57.8	-101	0	0	0	113.7	Y225 M227 G228 R286 D294 G296	Y225-Y299 AromaticContact CD1-CD2 3.59Å; Y225-Y299 HydrophobicContact CD1-CD2 3.59Å; Y225-Y299 AromaticContact CD1-CE2 3.86Å; Y225-Y299 HydrophobicContact CD1-CE2 3.86Å; Y225-Y299 AromaticContact CE1-CD2 3.87Å; Y225-Y299 HydrophobicContact CE1-CD2 3.87Å; Y225-Y299 HydrophobicContact CE1-CE2 4.39Å; Y225-Y299 HydrophobicContact CG-CD2 4.2Å; Y225-Y299 AromaticContact CG-CE2 3.99Å; Y225-Y299 HydrophobicContact CG-CE2 3.99Å; M227-Y299 VanDerWaalsContact O-CZ 3.32Å; M227-Y299 PolarHBondContact O-OH 2.77Å; G228-Y299 VanDerWaalsContact CA-CD1 3.46Å; G228-Y299 WeakPolarHBondContact O-CB 3.47Å; R286-Y299 PolarHBondContact NH1-OH 2.68Å; R286-Y299 PolarHBondContact NH2-OH 3.1Å; R286-Y299 VanDerWaalsContact NH2-OH 3.17Å; D294-Y299 WeakPolarHBondContact OD2-CE1 3.5Å; D294-Y299 PolarHBondContact OD2-OH 2.84Å; G296-Y299 WeakPolarHBondContact CA-OH 3.27Å
300	R	97.8	Very high	97.6	Very high	12 Å²	12	65.5 Å²	65.5	5%	0.045	35%	0.349	C	S	.	.	S	Bend	trans	-158.2	157	175.2	62.6	-178.9	-178.4	171.4	4.6	109.9	Y225 Y285 R286 Y287 H288 G296 V297	Y225-R300 HydrophobicContact CE1-CB 4.09Å; Y225-R300 HydrophobicContact CE2-CB 4.24Å; Y225-R300 WeakPolarHBondContact OH-CB 3.11Å; Y285-R300 VanDerWaalsContact CE1-NH1 3.3Å; Y285-R300 VanDerWaalsContact CZ-NH1 3.3Å; Y285-R300 WeakPolarHBondContact OH-CD 3.36Å; Y285-R300 PolarHBondContact OH-NH1 3.4Å; Y285-R300 VanDerWaalsContact OH-NH1 3.13Å; R286-R300 PolarHBondContact O-NH1 3.37Å; R286-R300 PolarHBondContact O-NH2 2.85Å; Y287-R300 PolarHBondContact O-NH2 3.36Å; H288-R300 PolarHBondContact O-NH2 3.31Å; G296-R300 WeakPolarHBondContact O-CG 3.28Å; G296-R300 PolarHBondContact O-NE 2.9Å; G296-R300 VanDerWaalsContact O-NE 3.09Å; V297-R300 CarbonylContact C-O 3.56Å; V297-R300 WeakPolarHBondContact CA-O 3.28Å
301	T	98.1	Very high	97.5	Very high	80 Å²	80	71.2 Å²	71.2	49%	0.491	37%	0.374	S	S	.	.			trans	-86.7	157.1	-176.5	67.8	0	0	0	0	111.7	D303 E304	T301-D303 PolarHBondContact O-N 3.07Å; T301-E304 PolarHBondContact O-N 3.22Å; T301-E304 WeakPolarHBondContact OG1-CB 3.38Å; T301-E304 PolarHBondContact OG1-N 3Å
302	R	97.2	Very high	97.5	Very high	184 Å²	184	75.4 Å²	75.4	69%	0.694	39%	0.388	S	S	*	.	H	α-helix	trans	-65.2	-31.8	170	-69.1	-175.8	178.2	123.4	-0.3	111.6	V297 I305 Q306	V297-R302 HydrophobicContact CG1-CG 3.9Å; R302-I305 PolarHBondContact O-N 3.18Å; R302-Q306 WeakPolarHBondContact O-CB 3.29Å; R302-Q306 PolarHBondContact O-N 3.02Å
303	D	98.1	Very high	97.6	Very high	128 Å²	128	74.2 Å²	74.2	68%	0.684	38%	0.382	S	S	*	.	H	α-helix	trans	-65.7	-40.7	179.1	-62.5	-20.9	0	0	0	111.3	T301 I305 Q306 E307	T301-D303 PolarHBondContact O-N 3.07Å; D303-I305 PolarHBondContact O-N 2.88Å; D303-Q306 PolarHBondContact O-N 3.05Å; D303-E307 VanDerWaalsContact O-CB 3.24Å; D303-E307 WeakPolarHBondContact O-CB 3.35Å; D303-E307 PolarHBondContact O-N 3.36Å
304	E	98.1	Very high	97.7	Very high	49 Å²	49	69.8 Å²	69.8	23%	0.229	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-48.6	173.6	-177.6	-169	127.7	0	0	111.3	Y225 Y285 T301 Q306 E307 V308	Y225-E304 VanDerWaalsContact CE2-OE1 3.26Å; Y225-E304 WeakPolarHBondContact CE2-OE1 3.26Å; Y225-E304 VanDerWaalsContact OH-CD 3.25Å; Y225-E304 PolarHBondContact OH-OE1 2.88Å; Y225-E304 PolarHBondContact OH-OE2 3.47Å; Y285-E304 WeakPolarHBondContact CE2-OE1 3.47Å; Y285-E304 PolarHBondContact OH-OE1 2.98Å; T301-E304 PolarHBondContact O-N 3.22Å; T301-E304 WeakPolarHBondContact OG1-CB 3.38Å; T301-E304 PolarHBondContact OG1-N 3Å; E304-Q306 VanDerWaalsContact C-N 3.34Å; E304-Q306 PolarHBondContact O-N 2.73Å; E304-E307 PolarHBondContact O-N 2.97Å; E304-V308 WeakPolarHBondContact O-CG2 3.49Å; E304-V308 PolarHBondContact O-N 3.12Å
305	I	98.2	Very high	97.8	Very high	24 Å²	24	69 Å²	69	12%	0.123	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-44.5	179.6	-58.6	168.6	0	0	0	110.5	Y285 Y287 R302 D303 R309	Y285-I305 HydrophobicContact CE1-CB 4.47Å; Y285-I305 HydrophobicContact CE1-CG1 4.12Å; Y285-I305 HydrophobicContact CE1-CG2 4.49Å; Y287-I305 HydrophobicContact CD1-CG2 4.35Å; R302-I305 PolarHBondContact O-N 3.18Å; D303-I305 PolarHBondContact O-N 2.88Å; I305-R309 WeakPolarHBondContact O-CB 3.5Å; I305-R309 PolarHBondContact O-N 3.33Å
306	Q	98	Very high	97.9	Very high	110 Å²	110	68 Å²	68	51%	0.514	33%	0.334	S	S	.	.	H	α-helix	trans	-68.9	-37.6	-178.7	-176	58.8	30.4	0	0	112	R302 D303 E304 R309 S310	R302-Q306 WeakPolarHBondContact O-CB 3.29Å; R302-Q306 PolarHBondContact O-N 3.02Å; D303-Q306 PolarHBondContact O-N 3.05Å; E304-Q306 VanDerWaalsContact C-N 3.34Å; E304-Q306 PolarHBondContact O-N 2.73Å; Q306-R309 PolarHBondContact O-N 3.28Å; Q306-S310 VanDerWaalsContact O-CB 3.29Å; Q306-S310 WeakPolarHBondContact O-CB 3.45Å; Q306-S310 PolarHBondContact O-N 3.28Å; Q306-S310 PolarHBondContact O-OG 3.21Å
307	E	98.2	Very high	98	Very high	101 Å²	101	69.8 Å²	69.8	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-50.8	173.7	-179.1	170.4	-165.5	0	0	111	D303 E304 R309 S310 K311	D303-E307 VanDerWaalsContact O-CB 3.24Å; D303-E307 WeakPolarHBondContact O-CB 3.35Å; D303-E307 PolarHBondContact O-N 3.36Å; E304-E307 PolarHBondContact O-N 2.97Å; E307-R309 VanDerWaalsContact C-N 3.35Å; E307-R309 PolarHBondContact O-N 3.07Å; E307-S310 PolarHBondContact O-N 3.06Å; E307-S310 PolarHBondContact O-OG 2.92Å; E307-S310 VanDerWaalsContact O-OG 3.07Å; E307-K311 HydrophobicContact CG-CD 3.85Å; E307-K311 WeakPolarHBondContact O-CB 3.3Å; E307-K311 WeakPolarHBondContact O-CG 3.47Å; E307-K311 PolarHBondContact O-N 3.03Å; E307-K311 IonicContact OE1-NZ 3.87Å; E307-K311 PolarHBondContact OE1-NZ 3.38Å
308	V	98.3	Very high	98.1	Very high	29 Å²	29	66.9 Å²	66.9	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-47.1	176.6	175.6	0	0	0	0	110.7	M255 Y285 Y287 E304 S310 K311 R312	M255-V308 HydrophobicContact CE-CG1 4.14Å; Y285-V308 HydrophobicContact CD1-CB 4.31Å; Y285-V308 HydrophobicContact CD1-CG1 4Å; Y285-V308 HydrophobicContact CD2-CG1 4.42Å; Y285-V308 HydrophobicContact CD2-CG2 4.15Å; Y285-V308 HydrophobicContact CE2-CG2 4.23Å; Y285-V308 HydrophobicContact CG-CB 4.37Å; Y285-V308 HydrophobicContact CG-CG1 3.81Å; Y285-V308 HydrophobicContact CG-CG2 4.28Å; Y287-V308 HydrophobicContact CE1-CG1 4.37Å; E304-V308 WeakPolarHBondContact O-CG2 3.49Å; E304-V308 PolarHBondContact O-N 3.12Å; V308-S310 PolarHBondContact O-N 2.94Å; V308-K311 PolarHBondContact O-N 2.87Å; V308-R312 HydrophobicContact CG1-CB 4.42Å; V308-R312 CarbonylContact O-C 3.38Å; V308-R312 VanDerWaalsContact O-CA 3.32Å; V308-R312 WeakPolarHBondContact O-CA 3.4Å; V308-R312 WeakPolarHBondContact O-CB 3.43Å; V308-R312 PolarHBondContact O-N 3.25Å
309	R	97.8	Very high	98.1	Very high	91 Å²	91	64.5 Å²	64.5	34%	0.343	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-40.4	179.9	-177.4	-178.8	-73.8	-173.6	-6.5	112.7	Y287 I305 Q306 E307 D313	Y287-R309 VanDerWaalsContact CB-NH2 3.28Å; Y287-R309 HydrophobicContact CD1-CB 4.34Å; Y287-R309 HydrophobicContact CE1-CB 3.78Å; Y287-R309 HydrophobicContact CE1-CG 4.27Å; Y287-R309 HydrophobicContact CE2-CG 4.23Å; I305-R309 WeakPolarHBondContact O-CB 3.5Å; I305-R309 PolarHBondContact O-N 3.33Å; Q306-R309 PolarHBondContact O-N 3.28Å; E307-R309 VanDerWaalsContact C-N 3.35Å; E307-R309 PolarHBondContact O-N 3.07Å; R309-D313 WeakPolarHBondContact O-CB 3.44Å
310	S	97.4	Very high	98.2	Very high	62 Å²	62	66.1 Å²	66.1	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-75.4	-31.8	-177.4	56.6	0	0	0	0	113.3	Q306 E307 V308	Q306-S310 VanDerWaalsContact O-CB 3.29Å; Q306-S310 WeakPolarHBondContact O-CB 3.45Å; Q306-S310 PolarHBondContact O-N 3.28Å; Q306-S310 PolarHBondContact O-OG 3.21Å; E307-S310 PolarHBondContact O-N 3.06Å; E307-S310 PolarHBondContact O-OG 2.92Å; E307-S310 VanDerWaalsContact O-OG 3.07Å; V308-S310 PolarHBondContact O-N 2.94Å
311	K	97.2	Very high	98.2	Very high	144 Å²	144	67.9 Å²	67.9	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-100.9	-27.1	-174.4	-64.9	-177.2	-178.7	174.9	0	113.9	E307 V308	E307-K311 HydrophobicContact CG-CD 3.85Å; E307-K311 WeakPolarHBondContact O-CB 3.3Å; E307-K311 WeakPolarHBondContact O-CG 3.47Å; E307-K311 PolarHBondContact O-N 3.03Å; E307-K311 IonicContact OE1-NZ 3.87Å; E307-K311 PolarHBondContact OE1-NZ 3.38Å; V308-K311 PolarHBondContact O-N 2.87Å
312	R	97.8	Very high	98.3	Very high	98 Å²	98	64 Å²	64	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-134.1	18.3	-167.2	-57.7	-164.8	70.1	-178.8	5.5	114.3	D253 M255 V308	D253-R312 IonicContact OD1-CZ 3.9Å; D253-R312 IonicContact OD1-NH2 2.73Å; D253-R312 PolarHBondContact OD1-NH2 3.04Å; D253-R312 IonicContact OD2-NH2 3.88Å; D253-R312 PolarHBondContact OD2-NH2 2.99Å; M255-R312 HydrophobicContact CB-CB 4.47Å; M255-R312 HydrophobicContact CE-CB 4.41Å; M255-R312 WeakPolarHBondContact CE-O 3.5Å; M255-R312 HydrophobicContact CG-CB 4.4Å; V308-R312 HydrophobicContact CG1-CB 4.42Å; V308-R312 CarbonylContact O-C 3.38Å; V308-R312 VanDerWaalsContact O-CA 3.32Å; V308-R312 WeakPolarHBondContact O-CA 3.4Å; V308-R312 WeakPolarHBondContact O-CB 3.43Å; V308-R312 PolarHBondContact O-N 3.25Å
313	D	98.8	Very high	98.3	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.043	28%	0.276	C	S	.	.			trans	-62.2	128	177.3	178.8	-88.2	0	0	0	111.6	R70 Y287 R309 I315 M316 I317	R70-D313 IonicContact CZ-OD2 3.28Å; R70-D313 VanDerWaalsContact CZ-OD2 3.25Å; R70-D313 IonicContact NH1-OD1 3.56Å; R70-D313 IonicContact NH1-OD2 2.86Å; R70-D313 PolarHBondContact NH1-OD2 2.94Å; R70-D313 IonicContact NH2-OD2 2.71Å; R70-D313 PolarHBondContact NH2-OD2 2.92Å; Y287-D313 WeakPolarHBondContact OH-CA 3.31Å; Y287-D313 WeakPolarHBondContact OH-CB 3.46Å; Y287-D313 PolarHBondContact OH-OD2 3.36Å; R309-D313 WeakPolarHBondContact O-CB 3.44Å; D313-I315 VanDerWaalsContact C-N 3.27Å; D313-I315 PolarHBondContact O-N 3.36Å; D313-I315 WeakPolarHBondContact OD1-CA 3.4Å; D313-I315 WeakPolarHBondContact OD1-CB 3.22Å; D313-I315 PolarHBondContact OD1-N 3.46Å; D313-M316 HydrophobicContact CB-CB 4.07Å; D313-M316 HydrophobicContact CB-CG 4Å; D313-M316 HydrophobicContact CB-SD 4.07Å; D313-M316 PolarHBondContact O-N 3.2Å; D313-M316 PolarHBondContact OD1-N 2.9Å; D313-I317 WeakPolarHBondContact O-CG1 3.44Å; D313-I317 PolarHBondContact O-N 3.31Å
314	P	98.9	Very high	98.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-28.9	-171.2	25.5	-34.2	0	0	0	113	M66 E96 A97 M255 L318	M66-P314 HydrophobicContact SD-CB 4.27Å; E96-P314 HydrophobicContact CB-CG 4.35Å; E96-P314 WeakPolarHBondContact OE2-CG 3.49Å; A97-P314 HydrophobicContact CB-CB 3.62Å; M255-P314 WeakPolarHBondContact O-CA 3.24Å; M255-P314 VanDerWaalsContact O-CB 3.31Å; M255-P314 WeakPolarHBondContact O-CB 3.26Å; P314-L318 PolarHBondContact O-N 2.73Å
315	I	98.9	Very high	98.3	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-75.5	-42.5	178	-61.5	172.7	0	0	0	109.5	Y63 M66 L67 R70 D313 L318 Q319	Y63-I315 HydrophobicContact CD2-CG2 4.08Å; Y63-I315 HydrophobicContact CE2-CG2 3.52Å; M66-I315 HydrophobicContact CB-CD1 4.3Å; M66-I315 HydrophobicContact CB-CG1 3.82Å; L67-I315 HydrophobicContact CD1-CD1 4.22Å; R70-I315 HydrophobicContact CB-CD1 3.65Å; R70-I315 HydrophobicContact CG-CD1 4.03Å; D313-I315 VanDerWaalsContact C-N 3.27Å; D313-I315 PolarHBondContact O-N 3.36Å; D313-I315 WeakPolarHBondContact OD1-CA 3.4Å; D313-I315 WeakPolarHBondContact OD1-CB 3.22Å; D313-I315 PolarHBondContact OD1-N 3.46Å; I315-L318 PolarHBondContact O-N 2.78Å; I315-Q319 VanDerWaalsContact O-CB 3.31Å; I315-Q319 WeakPolarHBondContact O-CB 3.43Å; I315-Q319 PolarHBondContact O-N 2.83Å
316	M	98.7	Very high	98.3	Very high	85 Å²	85	61.4 Å²	61.4	42%	0.419	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-44.9	175.5	-68.4	-177.5	58.6	0	0	111.9	D313 L318 Q319 D320	D313-M316 HydrophobicContact CB-CB 4.07Å; D313-M316 HydrophobicContact CB-CG 4Å; D313-M316 HydrophobicContact CB-SD 4.07Å; D313-M316 PolarHBondContact O-N 3.2Å; D313-M316 PolarHBondContact OD1-N 2.9Å; M316-L318 VanDerWaalsContact C-N 3.34Å; M316-L318 PolarHBondContact O-N 3.29Å; M316-Q319 WeakPolarHBondContact O-CB 3.42Å; M316-Q319 PolarHBondContact O-N 2.91Å; M316-D320 PolarHBondContact O-N 2.81Å
317	I	98.8	Very high	98.3	Very high	37 Å²	37	56.1 Å²	56.1	19%	0.19	27%	0.272	C	S	.	.	H	α-helix	trans	-55.6	-48.8	176.8	-70.5	165.1	0	0	0	110.9	M255 D313 R321	M255-I317 HydrophobicContact CB-CD1 4.38Å; D313-I317 WeakPolarHBondContact O-CG1 3.44Å; D313-I317 PolarHBondContact O-N 3.31Å; I317-R321 WeakPolarHBondContact O-CG 3.33Å; I317-R321 PolarHBondContact O-N 3.24Å; I317-R321 VanDerWaalsContact O-N 3.14Å
318	L	98.8	Very high	98.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-41.9	178.9	-178.7	63.9	0	0	0	111.8	L54 M66 V257 P314 I315 M316 D320 R321 M322	L54-L318 HydrophobicContact CD2-CD1 3.94Å; M66-L318 HydrophobicContact CE-CB 3.81Å; M66-L318 HydrophobicContact CE-CD2 3.37Å; M66-L318 HydrophobicContact CE-CG 4.22Å; V257-L318 HydrophobicContact CG1-CB 4.47Å; V257-L318 HydrophobicContact CG1-CD1 4.12Å; V257-L318 HydrophobicContact CG1-CD2 4.28Å; P314-L318 PolarHBondContact O-N 2.73Å; I315-L318 PolarHBondContact O-N 2.78Å; M316-L318 VanDerWaalsContact C-N 3.34Å; M316-L318 PolarHBondContact O-N 3.29Å; L318-D320 PolarHBondContact O-N 2.8Å; L318-R321 PolarHBondContact O-N 3.16Å; L318-M322 HydrophobicContact CD1-CG 4.09Å; L318-M322 HydrophobicContact CD1-SD 4.11Å; L318-M322 HydrophobicContact CD2-SD 4.28Å; L318-M322 HydrophobicContact CG-CG 4.29Å; L318-M322 HydrophobicContact CG-SD 3.89Å; L318-M322 WeakPolarHBondContact O-CB 3.46Å; L318-M322 VanDerWaalsContact O-CG 3.29Å; L318-M322 WeakPolarHBondContact O-CG 3.43Å; L318-M322 PolarHBondContact O-N 3.47Å
319	Q	98.6	Very high	98.2	Very high	58 Å²	58	53.7 Å²	53.7	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-55.8	-51.5	176.8	173.3	177.5	-46.5	0	0	111.1	Y63 I315 M316 R321 M322 V323 L333	Y63-Q319 HydrophobicContact CE2-CB 4Å; I315-Q319 VanDerWaalsContact O-CB 3.31Å; I315-Q319 WeakPolarHBondContact O-CB 3.43Å; I315-Q319 PolarHBondContact O-N 2.83Å; M316-Q319 WeakPolarHBondContact O-CB 3.42Å; M316-Q319 PolarHBondContact O-N 2.91Å; Q319-R321 VanDerWaalsContact C-N 3.34Å; Q319-R321 PolarHBondContact O-N 2.61Å; Q319-M322 PolarHBondContact O-N 3.03Å; Q319-V323 HydrophobicContact CG-CG2 4.38Å; Q319-V323 WeakPolarHBondContact O-CG2 3.38Å; Q319-V323 PolarHBondContact O-N 3.22Å; Q319-L333 HydrophobicContact CB-CD1 4.26Å; Q319-L333 HydrophobicContact CG-CD1 3.73Å
320	D	98.6	Very high	98.2	Very high	77 Å²	77	53 Å²	53	41%	0.412	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-41.9	-177.1	-70.4	-14.7	0	0	0	110.9	M316 L318 M322 V323 N324	M316-D320 PolarHBondContact O-N 2.81Å; L318-D320 PolarHBondContact O-N 2.8Å; D320-M322 PolarHBondContact O-N 2.81Å; D320-V323 PolarHBondContact O-N 2.81Å; D320-N324 WeakPolarHBondContact O-CB 3.01Å; D320-N324 PolarHBondContact O-N 3.03Å; D320-N324 PolarHBondContact O-ND2 3.22Å; D320-N324 VanDerWaalsContact O-ND2 3.09Å
321	R	98.5	Very high	98.2	Very high	48 Å²	48	56 Å²	56	18%	0.181	28%	0.277	C	S	.	.	H	α-helix	trans	-57.2	-48.7	172.6	-80.5	-176.9	173.4	165	2	112.1	F34 E35 D256 I317 L318 Q319 S325	F34-R321 HydrophobicContact CD1-CB 4.13Å; F34-R321 HydrophobicContact CD1-CG 3.85Å; F34-R321 HydrophobicContact CE1-CB 3.53Å; F34-R321 HydrophobicContact CE1-CG 3.75Å; F34-R321 HydrophobicContact CZ-CB 3.99Å; E35-R321 PolarHBondContact O-NH2 2.85Å; D256-R321 IonicContact OD1-CZ 2.82Å; D256-R321 IonicContact OD1-NH1 3.84Å; D256-R321 PolarHBondContact OD1-NH1 2.92Å; D256-R321 IonicContact OD1-NH2 2.77Å; D256-R321 IonicContact OD2-CZ 3.7Å; D256-R321 IonicContact OD2-NH1 3.25Å; D256-R321 PolarHBondContact OD2-NH1 3.04Å; D256-R321 IonicContact OD2-NH2 2.78Å; D256-R321 PolarHBondContact OD2-NH2 3.31Å; I317-R321 WeakPolarHBondContact O-CG 3.33Å; I317-R321 PolarHBondContact O-N 3.24Å; I317-R321 VanDerWaalsContact O-N 3.14Å; L318-R321 PolarHBondContact O-N 3.16Å; Q319-R321 VanDerWaalsContact C-N 3.34Å; Q319-R321 PolarHBondContact O-N 2.61Å; R321-S325 VanDerWaalsContact O-CB 3.27Å; R321-S325 WeakPolarHBondContact O-CB 3.42Å; R321-S325 PolarHBondContact O-N 3.09Å; R321-S325 VanDerWaalsContact O-N 3.13Å; R321-S325 PolarHBondContact O-OG 3.1Å
322	M	98.6	Very high	98.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.5	-40.1	-177.1	-71.6	-178.9	70.1	0	0	112.6	L54 L60 L318 Q319 D320 S325 K326 L327 A328 L333	L54-M322 HydrophobicContact CD2-CG 4.49Å; L60-M322 HydrophobicContact CD2-CE 3.83Å; L60-M322 HydrophobicContact CG-CE 3.94Å; L318-M322 HydrophobicContact CD1-CG 4.09Å; L318-M322 HydrophobicContact CD1-SD 4.11Å; L318-M322 HydrophobicContact CD2-SD 4.28Å; L318-M322 HydrophobicContact CG-CG 4.29Å; L318-M322 HydrophobicContact CG-SD 3.89Å; L318-M322 WeakPolarHBondContact O-CB 3.46Å; L318-M322 VanDerWaalsContact O-CG 3.29Å; L318-M322 WeakPolarHBondContact O-CG 3.43Å; L318-M322 PolarHBondContact O-N 3.47Å; Q319-M322 PolarHBondContact O-N 3.03Å; D320-M322 PolarHBondContact O-N 2.81Å; M322-S325 PolarHBondContact O-OG 3.27Å; M322-K326 PolarHBondContact O-N 3.28Å; M322-L327 HydrophobicContact CB-CB 4.27Å; M322-L327 HydrophobicContact CG-CB 4.43Å; M322-L327 PolarHBondContact O-N 3.27Å; M322-A328 HydrophobicContact CB-CB 4.39Å; M322-A328 HydrophobicContact CE-CB 3.74Å; M322-A328 PolarHBondContact O-N 3.25Å; M322-L333 HydrophobicContact CE-CD2 4.34Å
323	V	98.4	Very high	98.3	Very high	41 Å²	41	46.7 Å²	46.7	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-70.8	-48.6	179.6	172.6	0	0	0	0	111	Q319 D320 S325 K326 A328 V330 L333	Q319-V323 HydrophobicContact CG-CG2 4.38Å; Q319-V323 WeakPolarHBondContact O-CG2 3.38Å; Q319-V323 PolarHBondContact O-N 3.22Å; D320-V323 PolarHBondContact O-N 2.81Å; V323-S325 VanDerWaalsContact C-N 3.29Å; V323-S325 PolarHBondContact O-N 2.92Å; V323-K326 PolarHBondContact O-N 2.91Å; V323-K326 VanDerWaalsContact O-N 3.07Å; V323-A328 WeakPolarHBondContact CA-O 3.11Å; V323-V330 HydrophobicContact CG1-CG2 4Å; V323-V330 HydrophobicContact CG2-CG2 3.95Å; V323-L333 HydrophobicContact CG2-CD1 3.97Å
324	N	98.1	Very high	98.2	Very high	132 Å²	132	53.6 Å²	53.6	71%	0.706	27%	0.27	S	S	*	.	H	α-helix	trans	-66.6	-31.3	-176.8	-67.9	-27.4	0	0	0	112.7	D320 K326	D320-N324 WeakPolarHBondContact O-CB 3.01Å; D320-N324 PolarHBondContact O-N 3.03Å; D320-N324 PolarHBondContact O-ND2 3.22Å; D320-N324 VanDerWaalsContact O-ND2 3.09Å; N324-K326 VanDerWaalsContact C-N 3.33Å
325	S	97.6	Very high	98.2	Very high	27 Å²	27	59.4 Å²	59.4	19%	0.189	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.5	175.6	62.5	0	0	0	0	114.3	S29 F34 R321 M322 V323 L327	S29-S325 PolarHBondContact OG-O 3.05Å; F34-S325 WeakPolarHBondContact CZ-OG 3.05Å; R321-S325 VanDerWaalsContact O-CB 3.27Å; R321-S325 WeakPolarHBondContact O-CB 3.42Å; R321-S325 PolarHBondContact O-N 3.09Å; R321-S325 VanDerWaalsContact O-N 3.13Å; R321-S325 PolarHBondContact O-OG 3.1Å; M322-S325 PolarHBondContact O-OG 3.27Å; V323-S325 VanDerWaalsContact C-N 3.29Å; V323-S325 PolarHBondContact O-N 2.92Å; S325-L327 PolarHBondContact O-N 3.21Å; S325-L327 WeakPolarHBondContact OG-CG 3.47Å
326	K	97.9	Very high	98.2	Very high	129 Å²	129	59.8 Å²	59.8	56%	0.561	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	27.2	-175.9	-49.8	174.1	-176	171.4	0	113.2	S28 S29 M322 V323 N324	S28-K326 CarbonylContact C-O 3.59Å; S28-K326 VanDerWaalsContact CA-O 3.25Å; S28-K326 WeakPolarHBondContact CA-O 3.22Å; S29-K326 PolarHBondContact N-O 2.94Å; M322-K326 PolarHBondContact O-N 3.28Å; V323-K326 PolarHBondContact O-N 2.91Å; V323-K326 VanDerWaalsContact O-N 3.07Å; N324-K326 VanDerWaalsContact C-N 3.33Å
327	L	97.8	Very high	98.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-74.6	-26.7	169.7	-74.1	178.9	0	0	0	112.2	S29 A32 F34 L54 R56 M322 S325	S29-L327 WeakPolarHBondContact O-CD2 3.44Å; A32-L327 HydrophobicContact CB-CD1 4.01Å; A32-L327 HydrophobicContact CB-CD2 4.29Å; A32-L327 HydrophobicContact CB-CG 4.08Å; F34-L327 HydrophobicContact CE2-CD1 3.89Å; F34-L327 HydrophobicContact CZ-CD1 3.99Å; L54-L327 HydrophobicContact CB-CD1 4.48Å; L54-L327 HydrophobicContact CD2-CD1 4.01Å; L54-L327 HydrophobicContact CG-CD1 4.17Å; R56-L327 HydrophobicContact CB-CD2 4.02Å; R56-L327 VanDerWaalsContact CD-O 3.27Å; R56-L327 WeakPolarHBondContact CD-O 3.16Å; R56-L327 VanDerWaalsContact CG-O 3.24Å; R56-L327 WeakPolarHBondContact CG-O 3.26Å; R56-L327 PolarHBondContact NH1-O 3.39Å; M322-L327 HydrophobicContact CB-CB 4.27Å; M322-L327 HydrophobicContact CG-CB 4.43Å; M322-L327 PolarHBondContact O-N 3.27Å; S325-L327 PolarHBondContact O-N 3.21Å; S325-L327 WeakPolarHBondContact OG-CG 3.47Å
328	A	97.8	Very high	98.2	Very high	5 Å²	5	59.6 Å²	59.6	4%	0.041	31%	0.309	C	S	.	.	S	Bend	trans	-153	161.8	172.5	0	0	0	0	0	111.2	L60 M322 V323 L333	L60-A328 HydrophobicContact CD2-CB 3.98Å; M322-A328 HydrophobicContact CB-CB 4.39Å; M322-A328 HydrophobicContact CE-CB 3.74Å; M322-A328 PolarHBondContact O-N 3.25Å; V323-A328 WeakPolarHBondContact CA-O 3.11Å; A328-L333 HydrophobicContact CB-CD2 4.03Å; A328-L333 HydrophobicContact CB-CG 4.2Å
329	T	97.9	Very high	98.2	Very high	74 Å²	74	64.8 Å²	64.8	45%	0.454	33%	0.333	S	S	.	.			trans	-96.7	160.9	172.2	73.7	0	0	0	0	111.1	E331 E332 L333	T329-E331 WeakPolarHBondContact CB-OE2 3.33Å; T329-E331 PolarHBondContact O-N 3.42Å; T329-E331 PolarHBondContact OG1-OE2 3.49Å; T329-E332 PolarHBondContact O-N 3.05Å; T329-E332 PolarHBondContact OG1-N 3.13Å; T329-L333 WeakPolarHBondContact O-CG 3.05Å; T329-L333 PolarHBondContact O-N 2.8Å
330	V	97.5	Very high	98.2	Very high	76 Å²	76	62 Å²	62	46%	0.461	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-37.6	176.2	176.7	0	0	0	0	111	V323 L333 K334	V323-V330 HydrophobicContact CG1-CG2 4Å; V323-V330 HydrophobicContact CG2-CG2 3.95Å; V330-L333 PolarHBondContact O-N 2.93Å; V330-K334 WeakPolarHBondContact O-CB 3.33Å; V330-K334 PolarHBondContact O-N 3.43Å
331	E	97.8	Very high	98.2	Very high	124 Å²	124	63.5 Å²	63.5	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-63.3	-44.7	178.9	-64.1	69.9	-152.4	0	0	111.6	T329 K334 E335	T329-E331 WeakPolarHBondContact CB-OE2 3.33Å; T329-E331 PolarHBondContact O-N 3.42Å; T329-E331 PolarHBondContact OG1-OE2 3.49Å; E331-K334 WeakPolarHBondContact O-CB 3.4Å; E331-K334 PolarHBondContact O-N 3.45Å; E331-E335 WeakPolarHBondContact O-CG 3.31Å; E331-E335 PolarHBondContact O-N 3.02Å
332	E	97.6	Very high	98.2	Very high	45 Å²	45	67.8 Å²	67.8	21%	0.21	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-44.1	178.1	179.7	172.3	-142.3	0	0	111.7	R56 L60 T329 K334 E335 I336	R56-E332 IonicContact CZ-OE1 3.31Å; R56-E332 IonicContact CZ-OE2 3.64Å; R56-E332 VanDerWaalsContact CZ-OE2 3.27Å; R56-E332 IonicContact NH1-OE1 2.97Å; R56-E332 IonicContact NH1-OE2 3.86Å; R56-E332 PolarHBondContact NH1-OE2 3.48Å; R56-E332 IonicContact NH2-OE1 2.73Å; R56-E332 PolarHBondContact NH2-OE1 3.1Å; R56-E332 IonicContact NH2-OE2 3.23Å; R56-E332 PolarHBondContact NH2-OE2 3.18Å; L60-E332 HydrophobicContact CD2-CG 4.18Å; T329-E332 PolarHBondContact O-N 3.05Å; T329-E332 PolarHBondContact OG1-N 3.13Å; E332-K334 VanDerWaalsContact C-N 3.26Å; E332-K334 PolarHBondContact O-N 3.02Å; E332-E335 WeakPolarHBondContact O-CB 3.49Å; E332-E335 PolarHBondContact O-N 3.24Å; E332-I336 PolarHBondContact O-N 3.01Å
333	L	98.3	Very high	98.2	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-30.7	176.9	-61.3	-178	0	0	0	112.1	L60 Y63 Q319 M322 V323 A328 T329 V330 I336 G337	L60-L333 HydrophobicContact CD2-CD2 3.98Å; Y63-L333 HydrophobicContact CD1-CD2 3.66Å; Y63-L333 HydrophobicContact CD2-CD2 4.41Å; Y63-L333 HydrophobicContact CE1-CB 3.82Å; Y63-L333 HydrophobicContact CE1-CD2 3.86Å; Y63-L333 HydrophobicContact CE1-CG 4.33Å; Y63-L333 HydrophobicContact CE2-CD1 4.45Å; Y63-L333 HydrophobicContact CG-CD2 3.95Å; Q319-L333 HydrophobicContact CB-CD1 4.26Å; Q319-L333 HydrophobicContact CG-CD1 3.73Å; M322-L333 HydrophobicContact CE-CD2 4.34Å; V323-L333 HydrophobicContact CG2-CD1 3.97Å; A328-L333 HydrophobicContact CB-CD2 4.03Å; A328-L333 HydrophobicContact CB-CG 4.2Å; T329-L333 WeakPolarHBondContact O-CG 3.05Å; T329-L333 PolarHBondContact O-N 2.8Å; V330-L333 PolarHBondContact O-N 2.93Å; L333-I336 HydrophobicContact CD2-CD1 4.34Å; L333-G337 PolarHBondContact O-N 3.37Å; L333-G337 VanDerWaalsContact O-N 3.07Å
334	K	98.1	Very high	98.3	Very high	153 Å²	153	68.7 Å²	68.7	67%	0.665	34%	0.344	S	S	*	.	H	α-helix	trans	-71.4	-36.3	173.6	-175.3	-179.6	178.4	-178.5	0	112.5	V330 E331 E332 G337 T338	V330-K334 WeakPolarHBondContact O-CB 3.33Å; V330-K334 PolarHBondContact O-N 3.43Å; E331-K334 WeakPolarHBondContact O-CB 3.4Å; E331-K334 PolarHBondContact O-N 3.45Å; E332-K334 VanDerWaalsContact C-N 3.26Å; E332-K334 PolarHBondContact O-N 3.02Å; K334-G337 PolarHBondContact O-N 3.33Å; K334-T338 PolarHBondContact O-N 3.33Å; K334-T338 PolarHBondContact O-OG1 3.35Å
335	E	98.5	Very high	98.3	Very high	123 Å²	123	65.2 Å²	65.2	58%	0.575	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-48.4	172.4	-73.6	173.8	-178.2	0	0	110.4	E331 E332 G337 T338 E339	E331-E335 WeakPolarHBondContact O-CG 3.31Å; E331-E335 PolarHBondContact O-N 3.02Å; E332-E335 WeakPolarHBondContact O-CB 3.49Å; E332-E335 PolarHBondContact O-N 3.24Å; E335-G337 VanDerWaalsContact C-N 3.26Å; E335-G337 PolarHBondContact O-N 2.95Å; E335-T338 WeakPolarHBondContact O-CA 3.24Å; E335-T338 WeakPolarHBondContact O-CB 3.48Å; E335-T338 PolarHBondContact O-N 2.98Å; E335-E339 PolarHBondContact O-N 3.16Å
336	I	98.7	Very high	98.3	Very high	19 Å²	19	67.5 Å²	67.5	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-54.4	-44.6	172.9	-67	172.7	0	0	0	110.8	L60 Y63 R64 E332 L333 T338 E339 V340	L60-I336 HydrophobicContact CD2-CD1 3.81Å; Y63-I336 HydrophobicContact CD1-CB 4.5Å; Y63-I336 HydrophobicContact CD1-CD1 4.28Å; Y63-I336 HydrophobicContact CD1-CG2 4.08Å; Y63-I336 HydrophobicContact CE1-CB 4.38Å; Y63-I336 HydrophobicContact CE1-CG2 4.2Å; R64-I336 HydrophobicContact CB-CG2 3.85Å; R64-I336 HydrophobicContact CG-CG2 3.91Å; E332-I336 PolarHBondContact O-N 3.01Å; L333-I336 HydrophobicContact CD2-CD1 4.34Å; I336-T338 VanDerWaalsContact C-N 3.27Å; I336-T338 PolarHBondContact O-N 3.23Å; I336-E339 PolarHBondContact O-N 3.18Å; I336-V340 HydrophobicContact CG2-CG2 4.11Å; I336-V340 WeakPolarHBondContact O-CB 3.45Å; I336-V340 VanDerWaalsContact O-CG2 3.31Å; I336-V340 WeakPolarHBondContact O-CG2 3.48Å; I336-V340 PolarHBondContact O-N 2.87Å
337	G	98.5	Very high	98.4	Very high	23 Å²	23	61.6 Å²	61.6	24%	0.237	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-33.8	177.5	0	0	0	0	0	114	L333 K334 E335 K341	L333-G337 PolarHBondContact O-N 3.37Å; L333-G337 VanDerWaalsContact O-N 3.07Å; K334-G337 PolarHBondContact O-N 3.33Å; E335-G337 VanDerWaalsContact C-N 3.26Å; E335-G337 PolarHBondContact O-N 2.95Å; G337-K341 WeakPolarHBondContact O-CB 3.29Å; G337-K341 PolarHBondContact O-N 3.35Å
338	T	98.7	Very high	98.4	Very high	94 Å²	94	61.9 Å²	61.9	58%	0.577	31%	0.314	S	S	*	.	H	α-helix	trans	-70.6	-43.4	175.9	-56.4	0	0	0	0	111.2	K334 E335 I336 K341 K342	K334-T338 PolarHBondContact O-N 3.33Å; K334-T338 PolarHBondContact O-OG1 3.35Å; E335-T338 WeakPolarHBondContact O-CA 3.24Å; E335-T338 WeakPolarHBondContact O-CB 3.48Å; E335-T338 PolarHBondContact O-N 2.98Å; I336-T338 VanDerWaalsContact C-N 3.27Å; I336-T338 PolarHBondContact O-N 3.23Å; T338-K341 PolarHBondContact O-N 2.96Å; T338-K342 PolarHBondContact O-N 3.32Å; T338-K342 VanDerWaalsContact O-N 3.11Å
339	E	98.8	Very high	98.5	Very high	111 Å²	111	68 Å²	68	52%	0.519	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-48	176.8	-67.9	179.2	178.4	0	0	112.1	E335 I336 K341 K342 E343	E335-E339 PolarHBondContact O-N 3.16Å; I336-E339 PolarHBondContact O-N 3.18Å; E339-K341 VanDerWaalsContact C-N 3.32Å; E339-K341 PolarHBondContact O-N 2.93Å; E339-K342 WeakPolarHBondContact O-CB 3.48Å; E339-K342 PolarHBondContact O-N 3.17Å; E339-E343 PolarHBondContact O-N 3.43Å
340	V	98.9	Very high	98.5	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-45.4	177	169	0	0	0	0	110	R64 L67 R71 I336 K342 E343 I344	R64-V340 HydrophobicContact CG-CG2 3.9Å; L67-V340 HydrophobicContact CG-CG1 4.28Å; R71-V340 HydrophobicContact CB-CG1 4.18Å; R71-V340 HydrophobicContact CG-CG1 4.07Å; I336-V340 HydrophobicContact CG2-CG2 4.11Å; I336-V340 WeakPolarHBondContact O-CB 3.45Å; I336-V340 VanDerWaalsContact O-CG2 3.31Å; I336-V340 WeakPolarHBondContact O-CG2 3.48Å; I336-V340 PolarHBondContact O-N 2.87Å; V340-K342 VanDerWaalsContact C-N 3.28Å; V340-K342 PolarHBondContact O-N 3.43Å; V340-E343 WeakPolarHBondContact O-CB 3.43Å; V340-E343 PolarHBondContact O-N 3.05Å; V340-E343 VanDerWaalsContact O-N 3.16Å; V340-I344 HydrophobicContact CG1-CG1 4.28Å; V340-I344 WeakPolarHBondContact O-CG1 3.35Å; V340-I344 PolarHBondContact O-N 2.97Å
341	K	98.6	Very high	98.6	Very high	108 Å²	108	64 Å²	64	47%	0.47	31%	0.311	S	S	.	.	H	α-helix	trans	-56.2	-45.3	177.1	-179.2	-179.6	174.9	-174	0	111.6	G337 T338 E339 I344 D345	G337-K341 WeakPolarHBondContact O-CB 3.29Å; G337-K341 PolarHBondContact O-N 3.35Å; T338-K341 PolarHBondContact O-N 2.96Å; E339-K341 VanDerWaalsContact C-N 3.32Å; E339-K341 PolarHBondContact O-N 2.93Å; K341-I344 PolarHBondContact O-N 3.34Å; K341-D345 PolarHBondContact O-N 3.03Å
342	K	98.8	Very high	98.6	Very high	138 Å²	138	60 Å²	60	60%	0.6	30%	0.296	S	S	*	.	H	α-helix	trans	-61.6	-45.8	177	-174	-178	176.3	-174.5	0	111.6	T338 E339 V340 I344 D345 D346	T338-K342 PolarHBondContact O-N 3.32Å; T338-K342 VanDerWaalsContact O-N 3.11Å; E339-K342 WeakPolarHBondContact O-CB 3.48Å; E339-K342 PolarHBondContact O-N 3.17Å; V340-K342 VanDerWaalsContact C-N 3.28Å; V340-K342 PolarHBondContact O-N 3.43Å; K342-I344 VanDerWaalsContact C-N 3.31Å; K342-I344 PolarHBondContact O-N 3.37Å; K342-D345 PolarHBondContact O-N 3.11Å; K342-D346 WeakPolarHBondContact O-CB 3.33Å; K342-D346 VanDerWaalsContact O-CG 3.27Å; K342-D346 PolarHBondContact O-N 3.03Å
343	E	98.8	Very high	98.7	Very high	56 Å²	56	61.9 Å²	61.9	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-55.5	-45.2	175.8	-176.5	-173.7	156.5	0	0	111.8	R64 E339 V340 A347	R64-E343 IonicContact CZ-OE2 3.08Å; R64-E343 VanDerWaalsContact CZ-OE2 3.31Å; R64-E343 IonicContact NH1-OE2 2.79Å; R64-E343 PolarHBondContact NH1-OE2 2.93Å; R64-E343 IonicContact NH2-OE2 3.62Å; R64-E343 PolarHBondContact NH2-OE2 3.3Å; E339-E343 PolarHBondContact O-N 3.43Å; V340-E343 WeakPolarHBondContact O-CB 3.43Å; V340-E343 PolarHBondContact O-N 3.05Å; V340-E343 VanDerWaalsContact O-N 3.16Å; E343-A347 VanDerWaalsContact O-CB 3.29Å; E343-A347 WeakPolarHBondContact O-CB 3.32Å; E343-A347 PolarHBondContact O-N 2.98Å
344	I	98.9	Very high	98.7	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-43.4	178.4	-60.9	-50.9	0	0	0	111.9	T68 R71 M72 K75 V129 V340 K341 K342 A347 A348	T68-I344 HydrophobicContact CG2-CD1 4.18Å; R71-I344 HydrophobicContact CB-CD1 4.39Å; R71-I344 HydrophobicContact CB-CG1 3.65Å; M72-I344 HydrophobicContact CB-CD1 4.03Å; K75-I344 HydrophobicContact CB-CG2 3.59Å; K75-I344 HydrophobicContact CG-CG2 3.87Å; V129-I344 HydrophobicContact CB-CD1 4.28Å; V129-I344 HydrophobicContact CG1-CD1 3.55Å; V129-I344 HydrophobicContact CG2-CD1 3.91Å; V340-I344 HydrophobicContact CG1-CG1 4.28Å; V340-I344 WeakPolarHBondContact O-CG1 3.35Å; V340-I344 PolarHBondContact O-N 2.97Å; K341-I344 PolarHBondContact O-N 3.34Å; K342-I344 VanDerWaalsContact C-N 3.31Å; K342-I344 PolarHBondContact O-N 3.37Å; I344-A347 PolarHBondContact O-N 2.97Å; I344-A348 WeakPolarHBondContact O-CB 3.46Å; I344-A348 PolarHBondContact O-N 3.46Å
345	D	98.8	Very high	98.7	Very high	60 Å²	60	58 Å²	58	32%	0.321	30%	0.304	S	S	.	.	H	α-helix	trans	-66.7	-40.7	-179.5	-73.1	-30	0	0	0	111.1	K75 K341 K342 A348 Q349	K75-D345 WeakPolarHBondContact CE-OD1 3.34Å; K75-D345 IonicContact NZ-OD1 3.68Å; K75-D345 PolarHBondContact NZ-OD1 3.31Å; K341-D345 PolarHBondContact O-N 3.03Å; K342-D345 PolarHBondContact O-N 3.11Å; D345-A348 PolarHBondContact O-N 3.33Å; D345-Q349 PolarHBondContact O-N 3.18Å
346	D	98.8	Very high	98.7	Very high	75 Å²	75	59.4 Å²	59.4	40%	0.401	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-41	174.4	-70.5	-13.1	0	0	0	111.6	K342 F350	K342-D346 WeakPolarHBondContact O-CB 3.33Å; K342-D346 VanDerWaalsContact O-CG 3.27Å; K342-D346 PolarHBondContact O-N 3.03Å; D346-F350 PolarHBondContact O-N 2.9Å
347	A	98.9	Very high	98.7	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-42.5	175.8	0	0	0	0	0	112	V129 R130 L133 E343 I344 F350 A351	V129-A347 HydrophobicContact CB-CB 4.22Å; V129-A347 HydrophobicContact CG1-CB 3.71Å; R130-A347 HydrophobicContact CB-CB 4.18Å; L133-A347 HydrophobicContact CD1-CB 4.05Å; E343-A347 VanDerWaalsContact O-CB 3.29Å; E343-A347 WeakPolarHBondContact O-CB 3.32Å; E343-A347 PolarHBondContact O-N 2.98Å; I344-A347 PolarHBondContact O-N 2.97Å; A347-F350 PolarHBondContact O-N 3.21Å; A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3.13Å
348	A	98.8	Very high	98.7	Very high	7 Å²	7	62.8 Å²	62.8	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-65.7	-40.9	177.9	0	0	0	0	0	112.4	K75 L133 I344 D345 F350 A351 T352	K75-A348 HydrophobicContact CD-CB 3.64Å; K75-A348 HydrophobicContact CG-CB 3.78Å; L133-A348 HydrophobicContact CD1-CB 4.22Å; I344-A348 WeakPolarHBondContact O-CB 3.46Å; I344-A348 PolarHBondContact O-N 3.46Å; D345-A348 PolarHBondContact O-N 3.33Å; A348-F350 VanDerWaalsContact C-N 3.31Å; A348-F350 PolarHBondContact O-N 2.7Å; A348-A351 PolarHBondContact O-N 3.14Å; A348-T352 WeakPolarHBondContact O-CG2 3.46Å; A348-T352 PolarHBondContact O-N 3.28Å; A348-T352 PolarHBondContact O-OG1 2.94Å; A348-T352 VanDerWaalsContact O-OG1 3.13Å
349	Q	98.8	Very high	98.7	Very high	134 Å²	134	63.6 Å²	63.6	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-61.1	-42.5	175.7	-176.3	178.9	11.5	0	0	111.2	D345 T352 S353	D345-Q349 PolarHBondContact O-N 3.18Å; Q349-T352 PolarHBondContact O-OG1 3.47Å; Q349-S353 WeakPolarHBondContact O-CB 3.3Å; Q349-S353 PolarHBondContact O-N 3.22Å; Q349-S353 PolarHBondContact O-OG 3.41Å
350	F	98.8	Very high	98.6	Very high	65 Å²	65	64.2 Å²	64.2	29%	0.285	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-47.8	174.7	-179.1	-90.4	0	0	0	111.2	R130 T134 D346 A347 A348 T352 S353 D354	R130-F350 VanDerWaalsContact CD-CD1 3.5Å; R130-F350 HydrophobicContact CG-CB 4.2Å; R130-F350 HydrophobicContact CG-CD1 3.35Å; R130-F350 HydrophobicContact CG-CE1 3.9Å; R130-F350 HydrophobicContact CG-CG 3.88Å; T134-F350 HydrophobicContact CG2-CD1 4.5Å; T134-F350 HydrophobicContact CG2-CE1 4.07Å; T134-F350 VanDerWaalsContact OG1-CD1 3.31Å; T134-F350 WeakPolarHBondContact OG1-CD1 3.37Å; D346-F350 PolarHBondContact O-N 2.9Å; A347-F350 PolarHBondContact O-N 3.21Å; A348-F350 VanDerWaalsContact C-N 3.31Å; A348-F350 PolarHBondContact O-N 2.7Å; F350-T352 PolarHBondContact O-N 3.04Å; F350-S353 PolarHBondContact O-N 3.32Å; F350-S353 VanDerWaalsContact O-N 3.12Å; F350-S353 PolarHBondContact O-OG 3.47Å; F350-D354 HydrophobicContact CD1-CB 4.35Å; F350-D354 HydrophobicContact CE1-CB 3.93Å; F350-D354 HydrophobicContact CZ-CB 4.05Å; F350-D354 WeakPolarHBondContact O-CB 3.28Å; F350-D354 PolarHBondContact O-N 3.29Å
351	A	98.8	Very high	98.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-29.3	-178.8	0	0	0	0	0	113.9	L133 T137 R139 A347 A348	L133-A351 HydrophobicContact CB-CB 3.81Å; T137-A351 WeakPolarHBondContact CB-O 3.32Å; T137-A351 HydrophobicContact CG2-CB 4.2Å; T137-A351 PolarHBondContact OG1-O 3Å; R139-A351 WeakPolarHBondContact CG-O 3.44Å; R139-A351 PolarHBondContact NH1-O 3.15Å; A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3.13Å; A348-A351 PolarHBondContact O-N 3.14Å
352	T	98.6	Very high	98.6	Very high	40 Å²	40	66.8 Å²	66.8	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-88.1	-17.7	177.5	57.9	0	0	0	0	113.7	L79 F84 R139 A348 Q349 F350	L79-T352 HydrophobicContact CD2-CG2 3.63Å; F84-T352 HydrophobicContact CD1-CG2 3.92Å; F84-T352 HydrophobicContact CD2-CG2 3.96Å; F84-T352 HydrophobicContact CE1-CG2 4.05Å; F84-T352 HydrophobicContact CE2-CG2 4.09Å; F84-T352 HydrophobicContact CG-CG2 3.88Å; F84-T352 HydrophobicContact CZ-CG2 4.13Å; R139-T352 PolarHBondContact NH1-O 2.85Å; R139-T352 PolarHBondContact NH2-O 3.43Å; A348-T352 WeakPolarHBondContact O-CG2 3.46Å; A348-T352 PolarHBondContact O-N 3.28Å; A348-T352 PolarHBondContact O-OG1 2.94Å; A348-T352 VanDerWaalsContact O-OG1 3.13Å; Q349-T352 PolarHBondContact O-OG1 3.47Å; F350-T352 PolarHBondContact O-N 3.04Å
353	S	98.4	Very high	98.5	Very high	85 Å²	85	60.4 Å²	60.4	59%	0.594	32%	0.323	S	S	*	.	H	α-helix	trans	-104.9	-22.5	-179.5	58.6	0	0	0	0	115.1	Q349 F350	Q349-S353 WeakPolarHBondContact O-CB 3.3Å; Q349-S353 PolarHBondContact O-N 3.22Å; Q349-S353 PolarHBondContact O-OG 3.41Å; F350-S353 PolarHBondContact O-N 3.32Å; F350-S353 VanDerWaalsContact O-N 3.12Å; F350-S353 PolarHBondContact O-OG 3.47Å
354	D	98.6	Very high	98.5	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.08	32%	0.32	C	S	.	.	S	Bend	trans	-63.2	132	176	-173.1	56.9	0	0	0	110.5	T134 R139 R140 G141 F350	T134-D354 HydrophobicContact CG2-CB 4.29Å; R139-D354 HydrophobicContact CB-CB 4.07Å; R139-D354 WeakPolarHBondContact CB-OD2 3.48Å; R139-D354 WeakPolarHBondContact CD-O 3.31Å; R139-D354 HydrophobicContact CG-CB 4.42Å; R139-D354 VanDerWaalsContact CG-O 3.23Å; R139-D354 WeakPolarHBondContact CG-O 3.47Å; R139-D354 PolarHBondContact NH1-O 2.79Å; R140-D354 WeakPolarHBondContact CG-OD2 3.49Å; R140-D354 PolarHBondContact N-OD2 3.45Å; R140-D354 IonicContact NE-OD1 3.76Å; G141-D354 WeakPolarHBondContact CA-OD2 3.16Å; G141-D354 PolarHBondContact N-OD2 3.22Å; F350-D354 HydrophobicContact CD1-CB 4.35Å; F350-D354 HydrophobicContact CE1-CB 3.93Å; F350-D354 HydrophobicContact CZ-CB 4.05Å; F350-D354 WeakPolarHBondContact O-CB 3.28Å; F350-D354 PolarHBondContact O-N 3.29Å
355	P	98.4	Very high	98.5	Very high	59 Å²	59	63.9 Å²	63.9	38%	0.383	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-69.3	159.8	-174.3	28.3	-36.6	0	0	0	112.9	R140	R140-P355 HydrophobicContact CG-CG 4.44Å; R140-P355 WeakPolarHBondContact CG-O 3.36Å; R140-P355 PolarHBondContact N-O 3.01Å; R140-P355 VanDerWaalsContact NE-CG 3.35Å
356	E	98.6	Very high	98.5	Very high	151 Å²	151	64.6 Å²	64.6	71%	0.706	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-61.5	157.8	170.7	-68.8	-179.6	109.9	0	0	111.5
357	P	98.3	Very high	98.4	Very high	38 Å²	38	67.5 Å²	67.5	25%	0.247	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-58.2	147.4	170.9	-21.7	33.5	0	0	0	111.8	G138 R140 K145	G138-P357 WeakPolarHBondContact O-CD 3.37Å; R140-P357 HydrophobicContact CB-CG 4.36Å; K145-P357 WeakPolarHBondContact O-CG 3.45Å
358	C	98.1	Very high	98.4	Very high	75 Å²	75	72 Å²	72	51%	0.507	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-63.9	139.1	175.9	-129.5	0	0	0	0	110.3	E360 E361	C358-E360 WeakPolarHBondContact CB-OE2 3.41Å; C358-E360 PolarHBondContact O-N 3.06Å; C358-E360 PolarHBondContact SG-OE2 3.22Å; C358-E361 HydrophobicContact CB-CG 4.1Å; C358-E361 PolarHBondContact O-N 3.01Å
359	L	98.5	Very high	98.3	Very high	112 Å²	112	77.2 Å²	77.2	59%	0.586	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-61.7	-30.1	-179.1	179.3	59.2	0	0	0	112	E361 L362 F384	L359-E361 PolarHBondContact O-N 2.75Å; L359-L362 HydrophobicContact CD1-CD1 3.93Å; L359-L362 WeakPolarHBondContact O-CB 3.47Å; L359-L362 PolarHBondContact O-N 3.47Å; L359-L362 VanDerWaalsContact O-N 3.15Å; L359-F384 HydrophobicContact CD1-CE1 4.14Å; L359-F384 HydrophobicContact CD1-CZ 4.35Å; L359-F384 HydrophobicContact CG-CE1 4.08Å; L359-F384 WeakPolarHBondContact O-CE1 3.39Å
360	E	97.9	Very high	98.1	Very high	123 Å²	123	75.2 Å²	75.2	58%	0.575	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-63	-26.5	177.6	-62.6	72.8	-162.6	0	0	112.2	C358 L362	C358-E360 WeakPolarHBondContact CB-OE2 3.41Å; C358-E360 PolarHBondContact O-N 3.06Å; C358-E360 PolarHBondContact SG-OE2 3.22Å; E360-L362 VanDerWaalsContact C-N 3.28Å; E360-L362 PolarHBondContact O-N 3.15Å
361	E	98.1	Very high	98	Very high	72 Å²	72	77.1 Å²	77.1	34%	0.336	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-86.5	4.1	179.2	-54.5	-168.3	174.9	0	0	113.3	K147 C358 L359 G363 H364	K147-E361 PolarHBondContact NZ-O 3.29Å; C358-E361 HydrophobicContact CB-CG 4.1Å; C358-E361 PolarHBondContact O-N 3.01Å; L359-E361 PolarHBondContact O-N 2.75Å; E361-G363 VanDerWaalsContact C-N 3.26Å; E361-G363 PolarHBondContact O-N 2.85Å; E361-H364 WeakPolarHBondContact CB-ND1 3.45Å; E361-H364 WeakPolarHBondContact O-CB 3.37Å; E361-H364 PolarHBondContact O-N 3.33Å; E361-H364 VanDerWaalsContact O-N 3.09Å
362	L	98.5	Very high	98	Very high	91 Å²	91	80.4 Å²	80.4	48%	0.476	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-46.5	-178.5	-177.5	152.7	0	0	0	111.4	K147 L359 E360 H364 F384	K147-L362 PolarHBondContact NZ-O 2.91Å; L359-L362 HydrophobicContact CD1-CD1 3.93Å; L359-L362 WeakPolarHBondContact O-CB 3.47Å; L359-L362 PolarHBondContact O-N 3.47Å; L359-L362 VanDerWaalsContact O-N 3.15Å; E360-L362 VanDerWaalsContact C-N 3.28Å; E360-L362 PolarHBondContact O-N 3.15Å; L362-H364 PolarHBondContact O-N 3.12Å; L362-F384 HydrophobicContact CB-CD1 4.07Å; L362-F384 HydrophobicContact CB-CE1 4.2Å; L362-F384 HydrophobicContact CB-CG 4.41Å; L362-F384 HydrophobicContact CD1-CE1 4.4Å; L362-F384 HydrophobicContact CD1-CE2 4.35Å; L362-F384 HydrophobicContact CD1-CZ 4.09Å; L362-F384 HydrophobicContact CD2-CD2 3.98Å; L362-F384 HydrophobicContact CD2-CE2 4.15Å; L362-F384 HydrophobicContact CD2-CG 4.23Å
363	G	97.9	Very high	98	Very high	4 Å²	4	81.9 Å²	81.9	4%	0.041	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-0.3	-178.7	0	0	0	0	0	115.6	E361 V366 S386	E361-G363 VanDerWaalsContact C-N 3.26Å; E361-G363 PolarHBondContact O-N 2.85Å; G363-V366 WeakPolarHBondContact O-CG2 3.39Å; G363-S386 WeakPolarHBondContact O-CA 3.42Å; G363-S386 WeakPolarHBondContact O-CB 3.41Å; G363-S386 PolarHBondContact O-OG 2.71Å
364	H	98.5	Very high	98	Very high	42 Å²	42	83.7 Å²	83.7	19%	0.194	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	152.7	-179	-69.1	-178.9	0	0	0	112.9	E361 L362 K385	E361-H364 WeakPolarHBondContact CB-ND1 3.45Å; E361-H364 WeakPolarHBondContact O-CB 3.37Å; E361-H364 PolarHBondContact O-N 3.33Å; E361-H364 VanDerWaalsContact O-N 3.09Å; L362-H364 PolarHBondContact O-N 3.12Å; H364-K385 PolarHBondContact CD2-O 2.68Å; H364-K385 VanDerWaalsContact CD2-O 3.32Å
365	H	98.1	Very high	98	Very high	89 Å²	89	84.9 Å²	84.9	41%	0.412	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	33.5	173.5	-46.6	-55.2	0	0	0	114.8	K145 V387 S388	K145-H365 PolarHBondContact NZ-NE2 3.35Å; H365-V387 PolarHBondContact N-O 3.22Å; H365-S388 VanDerWaalsContact ND1-C 3.31Å; H365-S388 PolarHBondContact ND1-OXT 3.47Å
366	V	98.3	Very high	98	Very high	76 Å²	76	90.2 Å²	90.2	46%	0.461	48%	0.479	S	S	.	.	S	Bend	trans	-75.3	-47.1	174	173.1	0	0	0	0	111.1	G363 F373	G363-V366 WeakPolarHBondContact O-CG2 3.39Å; V366-F373 HydrophobicContact CB-CZ 4.03Å; V366-F373 HydrophobicContact CG1-CZ 3.99Å
367	Y	98.3	Very high	97.9	Very high	135 Å²	135	84 Å²	84	53%	0.529	46%	0.456	S	S	.	.	S	Bend	trans	-121.6	148.6	174.9	-61.9	-51.6	0	0	0	110.5	D370 F373 S388	Y367-D370 VanDerWaalsContact CB-OD2 3.27Å; Y367-D370 WeakPolarHBondContact CB-OD2 3.39Å; Y367-F373 AromaticContact CD2-CE1 3.53Å; Y367-F373 HydrophobicContact CD2-CE1 3.53Å; Y367-F373 AromaticContact CD2-CZ 3.52Å; Y367-F373 HydrophobicContact CD2-CZ 3.52Å; Y367-F373 HydrophobicContact CE2-CE1 4.17Å; Y367-F373 HydrophobicContact CE2-CE2 4.37Å; Y367-F373 AromaticContact CE2-CZ 3.74Å; Y367-F373 HydrophobicContact CE2-CZ 3.74Å; Y367-F373 HydrophobicContact CG-CE1 4.48Å; Y367-S388 VanDerWaalsContact O-CA 3.28Å; Y367-S388 WeakPolarHBondContact O-CA 3.31Å; Y367-S388 VanDerWaalsContact O-CB 3.28Å; Y367-S388 WeakPolarHBondContact O-CB 3.43Å; Y367-S388 PolarHBondContact O-OG 3.22Å
368	S	97.8	Very high	98	Very high	99 Å²	99	86.9 Å²	86.9	69%	0.692	48%	0.482	S	S	*	.	S	Bend	trans	-95.8	141.3	176.4	-170.2	0	0	0	0	110.2	D370	S368-D370 PolarHBondContact O-N 3.46Å
369	S	96	Very high	98	Very high	116 Å²	116	85.9 Å²	85.9	81%	0.811	47%	0.472	S	S	*	.	S	Bend	trans	58.1	26.6	176.6	-60.4	0	0	0	0	115.6	S388	S369-S388 PolarHBondContact N-OG 3.18Å
370	D	96.1	Very high	97.9	Very high	92 Å²	92	83.8 Å²	83.8	49%	0.492	47%	0.465	S	S	.	.			trans	-105.7	156	177.9	-88.7	-9.2	0	0	0	111.6	Y367 S368 S388	Y367-D370 VanDerWaalsContact CB-OD2 3.27Å; Y367-D370 WeakPolarHBondContact CB-OD2 3.39Å; S368-D370 PolarHBondContact O-N 3.46Å; D370-S388 PolarHBondContact N-OG 3.35Å; D370-S388 PolarHBondContact O-OG 2.89Å
371	S	97.1	Very high	98	Very high	106 Å²	106	88.2 Å²	88.2	74%	0.741	48%	0.477	S	S	*	.			trans	-64.5	147.9	168.8	57.6	0	0	0	0	111
372	S	97.2	Very high	98	Very high	69 Å²	69	88 Å²	88	48%	0.483	48%	0.477	S	S	.	.			trans	-60.5	140.6	178.7	64.7	0	0	0	0	112.6	S386	S372-S386 WeakPolarHBondContact CA-O 3.41Å; S372-S386 VanDerWaalsContact CB-O 3.26Å; S372-S386 WeakPolarHBondContact CB-O 3.47Å
373	F	98.4	Very high	98	Very high	70 Å²	70	89.4 Å²	89.4	31%	0.307	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	174.2	179.4	65.8	-81	0	0	0	111.4	V366 Y367 V375 S386	V366-F373 HydrophobicContact CB-CZ 4.03Å; V366-F373 HydrophobicContact CG1-CZ 3.99Å; Y367-F373 AromaticContact CD2-CE1 3.53Å; Y367-F373 HydrophobicContact CD2-CE1 3.53Å; Y367-F373 AromaticContact CD2-CZ 3.52Å; Y367-F373 HydrophobicContact CD2-CZ 3.52Å; Y367-F373 HydrophobicContact CE2-CE1 4.17Å; Y367-F373 HydrophobicContact CE2-CE2 4.37Å; Y367-F373 AromaticContact CE2-CZ 3.74Å; Y367-F373 HydrophobicContact CE2-CZ 3.74Å; Y367-F373 HydrophobicContact CG-CE1 4.48Å; F373-V375 HydrophobicContact CD2-CG2 4.19Å; F373-V375 HydrophobicContact CE2-CG2 3.57Å; F373-V375 HydrophobicContact CZ-CG2 4.21Å; F373-S386 WeakPolarHBondContact CE1-OG 3.48Å; F373-S386 PolarHBondContact N-O 2.81Å; F373-S386 VanDerWaalsContact N-O 3.16Å; F373-S386 PolarHBondContact O-N 3.39Å
374	E	98.4	Very high	98	Very high	124 Å²	124	91 Å²	91	58%	0.579	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.5	177.4	-65.3	-175.8	150.1	0	0	111.6	K383 F384	E374-K383 IonicContact OE1-NZ 2.86Å; E374-K383 VanDerWaalsContact OE2-CD 3.28Å; E374-K383 WeakPolarHBondContact OE2-CD 3.14Å; E374-K383 VanDerWaalsContact OE2-CE 3.3Å; E374-K383 WeakPolarHBondContact OE2-CE 3.4Å; E374-K383 IonicContact OE2-NZ 3.93Å; E374-K383 PolarHBondContact OE2-NZ 2.91Å; E374-F384 CarbonylContact C-O 3.49Å; E374-F384 WeakPolarHBondContact CA-O 3.43Å
375	V	98.4	Very high	98	Very high	39 Å²	39	94.8 Å²	94.8	24%	0.236	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131	173.3	179.1	0	0	0	0	109	F373 K383 F384	F373-V375 HydrophobicContact CD2-CG2 4.19Å; F373-V375 HydrophobicContact CE2-CG2 3.57Å; F373-V375 HydrophobicContact CZ-CG2 4.21Å; V375-K383 WeakPolarHBondContact O-CA 3.23Å; V375-F384 PolarHBondContact N-O 3.25Å; V375-F384 PolarHBondContact O-N 3.25Å
376	R	98.5	Very high	98	Very high	172 Å²	172	90.6 Å²	90.6	65%	0.649	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.3	175.5	179.7	178.6	169.2	175.4	-2.7	110.5
377	G	98.5	Very high	98	Very high	21 Å²	21	89.6 Å²	89.6	22%	0.216	48%	0.476	C	S	.	.			trans	-85.9	-148.4	171.9	0	0	0	0	0	113	N379 I382	G377-N379 PolarHBondContact O-N 2.96Å; G377-N379 VanDerWaalsContact O-N 3.1Å; G377-I382 PolarHBondContact N-O 3.13Å
378	A	98.3	Very high	97.8	Very high	97 Å²	97	86.2 Å²	86.2	80%	0.802	47%	0.472	S	S	*	.	S	Bend	trans	-61.2	-23.3	-176.3	0	0	0	0	0	114.1	I382	A378-I382 HydrophobicContact CB-CD1 4.3Å
379	N	98.2	Very high	97.8	Very high	54 Å²	54	85.6 Å²	85.6	29%	0.289	46%	0.461	S	S	.	.	S	Bend	trans	-144.9	170.1	176.6	65.2	50.5	0	0	0	109.8	G377 W381 I382	G377-N379 PolarHBondContact O-N 2.96Å; G377-N379 VanDerWaalsContact O-N 3.1Å; N379-W381 HydrophobicContact CB-CE3 4.1Å; N379-W381 HydrophobicContact CB-CZ3 4.44Å; N379-W381 PolarHBondContact O-N 2.86Å; N379-W381 VanDerWaalsContact O-N 3.14Å; N379-W381 PolarHBondContact OD1-N 3.26Å; N379-I382 PolarHBondContact O-N 3.39Å; N379-I382 PolarHBondContact OD1-N 2.97Å; N379-I382 VanDerWaalsContact OD1-N 3.13Å
380	P	98	Very high	97.9	Very high	68 Å²	68	83.9 Å²	83.9	44%	0.442	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.3	-176.3	-23	33.8	0	0	0	115.4
381	W	98.4	Very high	98	Very high	217 Å²	217	83.5 Å²	83.5	82%	0.822	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-18.4	-177.1	-57.1	-79	0	0	0	113.2	N379	N379-W381 HydrophobicContact CB-CE3 4.1Å; N379-W381 HydrophobicContact CB-CZ3 4.44Å; N379-W381 PolarHBondContact O-N 2.86Å; N379-W381 VanDerWaalsContact O-N 3.14Å; N379-W381 PolarHBondContact OD1-N 3.26Å
382	I	98.5	Very high	98.1	Very high	68 Å²	68	82.2 Å²	82.2	35%	0.349	42%	0.422	S	S	.	.			trans	-88.6	119.7	173.9	-61.5	169.9	0	0	0	108.2	G377 A378 N379 F384	G377-I382 PolarHBondContact N-O 3.13Å; A378-I382 HydrophobicContact CB-CD1 4.3Å; N379-I382 PolarHBondContact O-N 3.39Å; N379-I382 PolarHBondContact OD1-N 2.97Å; N379-I382 VanDerWaalsContact OD1-N 3.13Å; I382-F384 HydrophobicContact CG2-CD2 4.29Å; I382-F384 HydrophobicContact CG2-CE2 3.59Å; I382-F384 HydrophobicContact CG2-CZ 3.88Å
383	K	98.4	Very high	98.1	Very high	119 Å²	119	83 Å²	83	52%	0.517	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.3	-179.2	-66.5	171.9	161.1	-153.4	0	109.7	E374 V375	E374-K383 IonicContact OE1-NZ 2.86Å; E374-K383 VanDerWaalsContact OE2-CD 3.28Å; E374-K383 WeakPolarHBondContact OE2-CD 3.14Å; E374-K383 VanDerWaalsContact OE2-CE 3.3Å; E374-K383 WeakPolarHBondContact OE2-CE 3.4Å; E374-K383 IonicContact OE2-NZ 3.93Å; E374-K383 PolarHBondContact OE2-NZ 2.91Å; V375-K383 WeakPolarHBondContact O-CA 3.23Å
384	F	98.6	Very high	98.1	Very high	37 Å²	37	83.9 Å²	83.9	16%	0.162	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.7	172.5	-65.4	-78.1	0	0	0	109.4	L359 L362 E374 V375 I382	L359-F384 HydrophobicContact CD1-CE1 4.14Å; L359-F384 HydrophobicContact CD1-CZ 4.35Å; L359-F384 HydrophobicContact CG-CE1 4.08Å; L359-F384 WeakPolarHBondContact O-CE1 3.39Å; L362-F384 HydrophobicContact CB-CD1 4.07Å; L362-F384 HydrophobicContact CB-CE1 4.2Å; L362-F384 HydrophobicContact CB-CG 4.41Å; L362-F384 HydrophobicContact CD1-CE1 4.4Å; L362-F384 HydrophobicContact CD1-CE2 4.35Å; L362-F384 HydrophobicContact CD1-CZ 4.09Å; L362-F384 HydrophobicContact CD2-CD2 3.98Å; L362-F384 HydrophobicContact CD2-CE2 4.15Å; L362-F384 HydrophobicContact CD2-CG 4.23Å; E374-F384 CarbonylContact C-O 3.49Å; E374-F384 WeakPolarHBondContact CA-O 3.43Å; V375-F384 PolarHBondContact N-O 3.25Å; V375-F384 PolarHBondContact O-N 3.25Å; I382-F384 HydrophobicContact CG2-CD2 4.29Å; I382-F384 HydrophobicContact CG2-CE2 3.59Å; I382-F384 HydrophobicContact CG2-CZ 3.88Å
385	K	98.3	Very high	98.1	Very high	123 Å²	123	81 Å²	81	54%	0.535	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136.8	170.4	-168	178.1	-179.6	180	0	108.7	H364 V387	H364-K385 PolarHBondContact CD2-O 2.68Å; H364-K385 VanDerWaalsContact CD2-O 3.32Å; K385-V387 HydrophobicContact CD-CG2 4.05Å; K385-V387 HydrophobicContact CG-CG2 4.07Å
386	S	98.4	Very high	98.1	Very high	1 Å²	1	84.2 Å²	84.2	1%	0.007	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.1	166.6	-166.5	0	0	0	0	109.2	G363 S372 F373	G363-S386 WeakPolarHBondContact O-CA 3.42Å; G363-S386 WeakPolarHBondContact O-CB 3.41Å; G363-S386 PolarHBondContact O-OG 2.71Å; S372-S386 WeakPolarHBondContact CA-O 3.41Å; S372-S386 VanDerWaalsContact CB-O 3.26Å; S372-S386 WeakPolarHBondContact CB-O 3.47Å; F373-S386 WeakPolarHBondContact CE1-OG 3.48Å; F373-S386 PolarHBondContact N-O 2.81Å; F373-S386 VanDerWaalsContact N-O 3.16Å; F373-S386 PolarHBondContact O-N 3.39Å
387	V	98.2	Very high	98	Very high	55 Å²	55	76.9 Å²	76.9	33%	0.333	41%	0.41	S	S	.	.			trans	-129.2	139.2	173.5	-176.5	0	0	0	0	106.8	H365 K385	H365-V387 PolarHBondContact N-O 3.22Å; K385-V387 HydrophobicContact CD-CG2 4.05Å; K385-V387 HydrophobicContact CG-CG2 4.07Å
388	S	94.6	Very high	98	Very high	63 Å²	63	82 Å²	82	44%	0.441	43%	0.427	S	S	.	.			trans	-57.5	0	178	-70.1	0	0	0	0	114.2	H365 Y367 S369 D370	H365-S388 VanDerWaalsContact ND1-C 3.31Å; H365-S388 PolarHBondContact ND1-OXT 3.47Å; Y367-S388 VanDerWaalsContact O-CA 3.28Å; Y367-S388 WeakPolarHBondContact O-CA 3.31Å; Y367-S388 VanDerWaalsContact O-CB 3.28Å; Y367-S388 WeakPolarHBondContact O-CB 3.43Å; Y367-S388 PolarHBondContact O-OG 3.22Å; S369-S388 PolarHBondContact N-OG 3.18Å; D370-S388 PolarHBondContact N-OG 3.35Å; D370-S388 PolarHBondContact O-OG 2.89Å

Retrieved 388 of 388 residues in 1047.1 ms (Link to these results)

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