A0A096MP89_PAPAN Loading...

3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial

May play a role in the biosynthesis of lipoic acid as well as longer chain fatty acids required for optimal mitochondrial function.

AlphaFold DB , UniProt , Accession A0A096MP89, Species PAPAN (Papio anubis, Olive baboon), Gene OXSM, Length 460 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	42.5	Very low	42.8	Very low	245 Å²	245	158.8 Å²	158.8	100%	1.207	83%	0.825	S	S	*	*				0	125.3	0	-80	177.1	-175.1	0	0	108.3
2	S	45.2	Very low	43	Very low	114 Å²	114	154.1 Å²	154.1	80%	0.797	81%	0.808	S	S	*	*			trans	62.1	127.4	167	-126.4	0	0	0	0	119.2
3	N	47.3	Very low	43	Very low	143 Å²	143	149 Å²	149	77%	0.765	79%	0.793	S	S	*	*	S	Bend	trans	82.7	41.4	164.1	-65.2	-6.4	0	0	0	120.6
4	C	42.8	Very low	43.2	Very low	131 Å²	131	146.1 Å²	146.1	89%	0.885	78%	0.784	S	S	*	*	S	Bend	trans	-143.9	25	155.4	-135.5	0	0	0	0	114.8
5	L	41.1	Very low	43.1	Very low	152 Å²	152	150.8 Å²	150.8	80%	0.796	79%	0.787	S	S	*	*	S	Bend	trans	-134.2	20.5	-173.4	-110.6	143	0	0	0	114.2
6	Q	44.1	Very low	43.1	Very low	171 Å²	171	149.7 Å²	149.7	80%	0.799	78%	0.781	S	S	*	*	S	Bend	trans	-112.1	-1	176	-84.7	-174.5	-16.1	0	0	115.2
7	N	43.7	Very low	42.9	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	78%	0.779	S	S	*	*	S	Bend	trans	-105.6	9.3	176	-82.6	-16	0	0	0	114.9
8	F	38.8	Very low	42.8	Very low	187 Å²	187	146.9 Å²	146.9	82%	0.82	78%	0.775	S	S	*	*	S	Bend	trans	-107.8	10.9	178.7	-113.4	-86	0	0	0	114.9
9	L	40.2	Very low	42.8	Very low	145 Å²	145	142.5 Å²	142.5	76%	0.759	76%	0.758	S	S	*	*	S	Bend	trans	-123.9	10.9	-179.3	-95	150.1	0	0	0	114.5
10	K	40.3	Very low	42.7	Very low	181 Å²	181	145.7 Å²	145.7	79%	0.787	76%	0.759	S	S	*	*	S	Bend	trans	-108.7	5.2	172.3	-97.5	-178	177.7	178	0	115
11	I	45.2	Very low	42.5	Very low	131 Å²	131	145.4 Å²	145.4	67%	0.672	76%	0.758	S	S	*	*	S	Bend	trans	-113.5	10.8	180	-62	175	0	0	0	112.3
12	T	44.9	Very low	42.2	Very low	102 Å²	102	138.6 Å²	138.6	63%	0.626	73%	0.733	S	S	*	*	S	Bend	trans	-121.5	14.3	-179.1	43.5	0	0	0	0	115.1
13	S	43.3	Very low	41.9	Very low	88 Å²	88	140.8 Å²	140.8	62%	0.615	73%	0.731	S	S	*	*	S	Bend	trans	-113.9	-9.6	167.3	72.6	0	0	0	0	114.7
14	T	45.1	Very low	41.5	Very low	109 Å²	109	142.3 Å²	142.3	67%	0.669	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	8.5	179.1	-13.5	0	0	0	0	114.2
15	R	42.2	Very low	41.4	Very low	216 Å²	216	141.9 Å²	141.9	82%	0.815	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	1.6	174.8	-82.2	-171.9	178.9	-164.8	0.8	115
16	L	43.1	Very low	41.5	Very low	133 Å²	133	139.9 Å²	139.9	70%	0.696	72%	0.721	S	S	*	*	S	Bend	trans	-115	-3.3	179.1	-97.2	132.3	0	0	0	115.3
17	L	39.4	Very low	41.4	Very low	144 Å²	144	143.5 Å²	143.5	75%	0.754	73%	0.727	S	S	*	*	S	Bend	trans	-97.8	-13.1	167.9	-94.2	107	0	0	0	114.3
18	C	40.9	Very low	41.1	Very low	105 Å²	105	141.7 Å²	141.7	71%	0.709	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-7.5	177.2	-140.4	0	0	0	0	113.5
19	S	43.3	Very low	41.3	Very low	64 Å²	64	142.8 Å²	142.8	45%	0.448	73%	0.73	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	-7	178.8	62.3	0	0	0	0	114.5
20	R	40.2	Very low	41.2	Very low	206 Å²	206	138.4 Å²	138.4	78%	0.777	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-15.2	175.7	-74.2	-170.8	178.3	-160.1	0.4	115.1
21	L	38.3	Very low	41.2	Very low	140 Å²	140	138.3 Å²	138.3	73%	0.733	72%	0.72	S	S	*	*	S	Bend	trans	-84.7	-18.5	167.9	-110.3	87	0	0	0	113.4
22	C	37.3	Very low	41.1	Very low	102 Å²	102	141.8 Å²	141.8	69%	0.689	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-5.4	-179.6	-143.8	0	0	0	0	113.7
23	Q	38.9	Very low	41.4	Very low	160 Å²	160	145 Å²	145	75%	0.748	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	5.7	176.6	-82.4	-173.9	-18	0	0	114.3
24	Q	38.4	Very low	41.7	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	74%	0.743	S	S	*	*	S	Bend	trans	-114	8.5	174.8	-92.2	-175.5	-18.1	0	0	114.7
25	V	39.8	Very low	42.6	Very low	122 Å²	122	145.1 Å²	145.1	74%	0.739	75%	0.747	S	S	*	*	S	Bend	trans	-111.6	28.6	172.4	-165	0	0	0	0	111.7
26	T	43.6	Very low	44	Very low	111 Å²	111	143.1 Å²	143.1	68%	0.681	75%	0.747	S	S	*	*	S	Bend	trans	-127.5	52.9	172.8	48.5	0	0	0	0	110.7
27	R	43.5	Very low	45.2	Very low	246 Å²	246	142.7 Å²	142.7	93%	0.928	75%	0.753	S	S	*	*			trans	-160.7	40.4	164.7	-110.5	172.7	-160.1	-160.9	6.1	112.6
28	S	36.6	Very low	47.1	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	76%	0.755	S	S	*	*			trans	-86.9	115	148	70.8	0	0	0	0	106.3	G30	S28-G30 PolarHBondContact O-N 3.5Å
29	K	43.6	Very low	48.9	Very low	210 Å²	210	143.8 Å²	143.8	91%	0.913	76%	0.76	S	S	*	*			trans	-65	77.8	158.6	-76.2	-179.1	174.8	-179.5	0	106.1	K31	K29-K31 PolarHBondContact O-N 3.29Å
30	G	36.4	Very low	50.6	Low	54 Å²	54	151.6 Å²	151.6	56%	0.557	78%	0.78	S	S	*	*			trans	-59.9	107.4	162.7	0	0	0	0	0	105.7	S28 F32	S28-G30 PolarHBondContact O-N 3.5Å; G30-F32 PolarHBondContact O-N 2.93Å
31	K	40.9	Very low	52.7	Low	178 Å²	178	148.9 Å²	148.9	77%	0.774	78%	0.78	S	S	*	*			trans	-56.8	99.2	162.1	-75	179.3	175.8	-179.3	0	105.3	K29 F33	K29-K31 PolarHBondContact O-N 3.29Å; K31-F33 HydrophobicContact CB-CD2 4.45Å; K31-F33 HydrophobicContact CB-CE2 4.35Å; K31-F33 PolarHBondContact O-N 2.85Å
32	F	43.9	Very low	55.1	Low	204 Å²	204	147 Å²	147	90%	0.895	77%	0.767	S	S	*	*			trans	-59.8	98.9	156	-98.8	-91.4	0	0	0	104.3	G30 G34	G30-F32 PolarHBondContact O-N 2.93Å; F32-G34 PolarHBondContact O-N 3.46Å
33	F	51.3	Low	58	Low	171 Å²	171	144.4 Å²	144.4	75%	0.75	74%	0.743	S	S	*	*			trans	-60.9	98.5	158.8	-76.9	-87.4	0	0	0	104.5	K31 T35	K31-F33 HydrophobicContact CB-CD2 4.45Å; K31-F33 HydrophobicContact CB-CE2 4.35Å; K31-F33 PolarHBondContact O-N 2.85Å; F33-T35 PolarHBondContact O-N 3.4Å
34	G	49.4	Very low	60.8	Low	72 Å²	72	141.5 Å²	141.5	74%	0.742	73%	0.725	S	S	*	*			trans	-63.7	87.2	166.9	0	0	0	0	0	106.8	F32 E36	F32-G34 PolarHBondContact O-N 3.46Å; G34-E36 PolarHBondContact O-N 3.49Å; G34-E36 VanDerWaalsContact O-N 3.11Å
35	T	64.6	Low	63.7	Low	126 Å²	126	133.2 Å²	133.2	77%	0.773	69%	0.686	S	S	*	*			trans	-68.9	104.2	163	52.1	0	0	0	0	104.9	F33	F33-T35 PolarHBondContact O-N 3.4Å
36	E	71.3	Confident	66.5	Low	174 Å²	174	127.4 Å²	127.4	81%	0.813	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-49.8	140.9	166.8	-71.5	-171.8	160.1	0	0	108.8	G34 I38	G34-E36 PolarHBondContact O-N 3.49Å; G34-E36 VanDerWaalsContact O-N 3.11Å; E36-I38 PolarHBondContact O-N 2.89Å
37	P	68.6	Low	69.1	Low	124 Å²	124	122.1 Å²	122.1	81%	0.805	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-58.8	132.1	-179.5	22.4	-30.8	0	0	0	110.2	S39	P37-S39 PolarHBondContact O-N 3.46Å
38	I	77.4	Confident	71.8	Confident	155 Å²	155	110.5 Å²	110.5	80%	0.795	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-60.9	123.7	178	-60	170.6	0	0	0	108.8	E36 R40	E36-I38 PolarHBondContact O-N 2.89Å; I38-R40 PolarHBondContact O-N 2.95Å
39	S	80.1	Confident	74.7	Confident	117 Å²	117	105.3 Å²	105.3	82%	0.818	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-63.2	117.1	170.8	59.1	0	0	0	0	109.6	P37	P37-S39 PolarHBondContact O-N 3.46Å
40	R	79.6	Confident	77.4	Confident	229 Å²	229	95.3 Å²	95.3	86%	0.864	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-92.9	144.7	171.8	-67.8	-171.9	178.5	-171	-0.4	109.8	I38 H42	I38-R40 PolarHBondContact O-N 2.95Å; R40-H42 PolarHBondContact O-N 3.19Å
41	L	82.8	Confident	80.3	Confident	149 Å²	149	92.7 Å²	92.7	78%	0.78	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-62.3	126.8	171.9	-178.2	66.9	0	0	0	109.1	R43	L41-R43 HydrophobicContact CD2-CG 4.4Å
42	H	88.4	Confident	83.1	Confident	100 Å²	100	84.2 Å²	84.2	46%	0.463	43%	0.431	S	S	.	.			trans	-98	109.5	169.7	-165.6	-87.1	0	0	0	107.7	R40 F221 A225	R40-H42 PolarHBondContact O-N 3.19Å; H42-F221 AromaticContact CE1-CZ 3.68Å; H42-A225 WeakPolarHBondContact CE1-CB 3.39Å; H42-A225 WeakPolarHBondContact NE2-CB 3.28Å
43	R	98	Very high	85.7	Confident	48 Å²	48	74.5 Å²	74.5	18%	0.181	39%	0.389	C	S	.	.			trans	-73.1	148.7	-177.1	-56.4	-171.1	-63.2	172	2.4	110.7	L41 I224 A225 G227 A229 D230 E288	L41-R43 HydrophobicContact CD2-CG 4.4Å; R43-I224 PolarHBondContact NE-O 3.27Å; R43-I224 PolarHBondContact NH2-O 3.1Å; R43-A225 PolarHBondContact N-O 3.34Å; R43-G227 VanDerWaalsContact NH2-CA 3.3Å; R43-A229 PolarHBondContact NH2-O 3.47Å; R43-D230 IonicContact CZ-OD1 3.44Å; R43-D230 IonicContact NH1-OD1 2.7Å; R43-D230 PolarHBondContact NH1-OD1 3.01Å; R43-D230 IonicContact NH2-OD1 3.56Å; R43-D230 PolarHBondContact NH2-OD1 3.06Å; R43-E288 HydrophobicContact CB-CG 4.08Å
44	R	98.6	Very high	88	Confident	99 Å²	99	66.4 Å²	66.4	37%	0.374	35%	0.353	S	S	.	.			trans	-78.2	143.9	174.9	-68.4	175.1	65	-155.1	-1.9	109.5	Y289 E302	R44-Y289 HydrophobicContact CB-CG 4.32Å; R44-Y289 VanDerWaalsContact NH1-CD1 3.28Å; R44-Y289 PolarHBondContact O-N 3.27Å; R44-E302 WeakPolarHBondContact CG-OE1 3.21Å; R44-E302 IonicContact CZ-OE1 3.57Å; R44-E302 IonicContact CZ-OE2 3.66Å; R44-E302 IonicContact NE-OE1 2.79Å; R44-E302 PolarHBondContact NE-OE1 3.26Å; R44-E302 IonicContact NE-OE2 3.62Å; R44-E302 IonicContact NH2-OE1 3.48Å; R44-E302 PolarHBondContact NH2-OE1 3.2Å; R44-E302 IonicContact NH2-OE2 2.83Å; R44-E302 PolarHBondContact NH2-OE2 2.84Å
45	V	98.9	Very high	90.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.4	-174.3	-172.4	0	0	0	0	109.8	F221 I224 A225 L286 E287 E302 V303	V45-F221 HydrophobicContact CB-CD2 3.78Å; V45-F221 HydrophobicContact CB-CE2 4.31Å; V45-F221 HydrophobicContact CG1-CD2 4.36Å; V45-F221 HydrophobicContact CG2-CD2 3.68Å; V45-F221 HydrophobicContact CG2-CE2 4.08Å; V45-I224 HydrophobicContact CG1-CB 4.26Å; V45-I224 HydrophobicContact CG1-CD1 3.83Å; V45-I224 HydrophobicContact CG1-CG2 4.23Å; V45-I224 HydrophobicContact CG2-CB 3.89Å; V45-I224 HydrophobicContact CG2-CG2 3.71Å; V45-A225 HydrophobicContact CG2-CB 4.17Å; V45-L286 HydrophobicContact CG1-CB 3.99Å; V45-L286 HydrophobicContact CG1-CD2 4.2Å; V45-L286 HydrophobicContact CG1-CG 4.26Å; V45-E287 CarbonylContact C-O 3.59Å; V45-E287 WeakPolarHBondContact CA-O 3.39Å; V45-E302 WeakPolarHBondContact O-CG 3.03Å; V45-V303 PolarHBondContact O-N 2.87Å
46	V	98.9	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	160.2	-177.6	-67	0	0	0	0	111.7	T48 L286 E287 Y289 A292 I299 A301 E302 M460	V46-T48 HydrophobicContact CG2-CG2 4.06Å; V46-L286 CarbonylContact O-C 3.57Å; V46-L286 WeakPolarHBondContact O-CA 3.36Å; V46-E287 HydrophobicContact CG2-CB 4.48Å; V46-E287 WeakPolarHBondContact CG2-O 3.22Å; V46-E287 PolarHBondContact N-O 2.92Å; V46-E287 PolarHBondContact O-N 3.38Å; V46-Y289 HydrophobicContact CG1-CD2 3.56Å; V46-Y289 HydrophobicContact CG1-CE2 4.29Å; V46-Y289 HydrophobicContact CG1-CG 4.4Å; V46-Y289 HydrophobicContact CG2-CD2 4.33Å; V46-A292 HydrophobicContact CG2-CB 3.71Å; V46-I299 HydrophobicContact CB-CG1 4.45Å; V46-I299 HydrophobicContact CB-CG2 3.7Å; V46-I299 HydrophobicContact CG1-CD1 4.49Å; V46-I299 HydrophobicContact CG1-CG2 3.88Å; V46-I299 HydrophobicContact CG2-CD1 4.14Å; V46-I299 HydrophobicContact CG2-CG1 4.1Å; V46-I299 HydrophobicContact CG2-CG2 4.29Å; V46-A301 CarbonylContact C-O 3.59Å; V46-A301 WeakPolarHBondContact CA-O 3.44Å; V46-E302 HydrophobicContact CG1-CB 4.26Å; V46-E302 HydrophobicContact CG1-CG 4.19Å; V46-M460 HydrophobicContact CG1-SD 3.73Å
47	I	98.9	Very high	93.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.2	175.8	-60.3	166.9	0	0	0	108.2	I50 L284 V285 L286 Y300 A301 V303 T400 I457	I47-I50 HydrophobicContact CG2-CG1 4.1Å; I47-L284 HydrophobicContact CD1-CD2 3.87Å; I47-L284 HydrophobicContact CG1-CD2 4.43Å; I47-L284 HydrophobicContact CG2-CB 4.36Å; I47-L284 HydrophobicContact CG2-CD2 4.01Å; I47-V285 WeakPolarHBondContact CA-O 3.38Å; I47-L286 HydrophobicContact CG1-CD1 4.23Å; I47-L286 HydrophobicContact CG1-CG 4.37Å; I47-Y300 HydrophobicContact CG2-CD2 4.35Å; I47-Y300 PolarHBondContact O-N 2.92Å; I47-A301 PolarHBondContact N-O 2.86Å; I47-V303 HydrophobicContact CD1-CG2 3.82Å; I47-V303 HydrophobicContact CG1-CG2 3.9Å; I47-T400 HydrophobicContact CB-CG2 4.27Å; I47-T400 HydrophobicContact CD1-CG2 3.93Å; I47-T400 WeakPolarHBondContact CD1-OG1 3.43Å; I47-T400 HydrophobicContact CG2-CG2 4.11Å; I47-I457 HydrophobicContact CD1-CG2 4.48Å
48	T	98.9	Very high	94.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-20.1	-176.3	57.2	0	0	0	0	113.7	V46 S134 V285 E287 A292 R295 A297 R298 I299	V46-T48 HydrophobicContact CG2-CG2 4.06Å; T48-S134 WeakPolarHBondContact O-CA 3.5Å; T48-S134 PolarHBondContact OG1-OG 3.5Å; T48-V285 PolarHBondContact N-O 3.32Å; T48-E287 WeakPolarHBondContact CB-OE2 3.42Å; T48-E287 HydrophobicContact CG2-CB 4.09Å; T48-E287 VanDerWaalsContact CG2-OE2 3.22Å; T48-E287 WeakPolarHBondContact CG2-OE2 3.3Å; T48-E287 PolarHBondContact OG1-OE2 2.89Å; T48-A292 HydrophobicContact CG2-CB 3.9Å; T48-R295 PolarHBondContact OG1-NH2 2.69Å; T48-A297 HydrophobicContact CG2-CB 3.75Å; T48-R298 WeakPolarHBondContact CA-O 3.27Å; T48-R298 PolarHBondContact O-NH2 3.49Å; T48-I299 HydrophobicContact CG2-CG1 4.24Å
49	G	98.9	Very high	95.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.7	176.7	0	0	0	0	0	113.5	D133 L284 V285	G49-D133 VanDerWaalsContact CA-OD2 3.31Å; G49-D133 WeakPolarHBondContact CA-OD2 3.24Å; G49-L284 CarbonylContact O-C 3.56Å; G49-L284 WeakPolarHBondContact O-CA 3.37Å; G49-V285 PolarHBondContact O-N 2.83Å
50	I	98.9	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.5	179.4	-57.3	172.8	0	0	0	108.8	I47 L52 T60 D133 Y300 A397 T400 L401	I47-I50 HydrophobicContact CG2-CG1 4.1Å; I50-L52 HydrophobicContact CG2-CD1 4.48Å; I50-L52 HydrophobicContact CG2-CD2 4.29Å; I50-L52 HydrophobicContact CG2-CG 4.04Å; I50-T60 VanDerWaalsContact C-OG1 3.23Å; I50-T60 HydrophobicContact CB-CG2 3.79Å; I50-T60 HydrophobicContact CD1-CG2 4.48Å; I50-T60 HydrophobicContact CG2-CG2 3.59Å; I50-T60 PolarHBondContact O-OG1 3.31Å; I50-D133 PolarHBondContact N-OD2 3.02Å; I50-Y300 HydrophobicContact CD1-CD2 3.93Å; I50-Y300 HydrophobicContact CD1-CE2 3.89Å; I50-Y300 HydrophobicContact CD1-CG 4.27Å; I50-Y300 HydrophobicContact CG1-CD2 4.08Å; I50-Y300 HydrophobicContact CG1-CE2 3.9Å; I50-A397 HydrophobicContact CG2-CB 3.63Å; I50-T400 HydrophobicContact CD1-CG2 3.86Å; I50-L401 HydrophobicContact CD1-CD2 4.08Å; I50-L401 HydrophobicContact CD1-CG 4.08Å
51	G	98.9	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.8	174	0	0	0	0	0	111.4	A126 A282 V283	G51-A126 WeakPolarHBondContact CA-O 3.36Å; G51-A282 WeakPolarHBondContact O-CA 3.31Å; G51-V283 PolarHBondContact N-O 3.29Å; G51-V283 PolarHBondContact O-N 2.93Å
52	L	98.9	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.1	-174.5	-64.2	-178	0	0	0	111.7	I50 T54 V58 G59 T60 V63 A282 A397 F398	I50-L52 HydrophobicContact CG2-CD1 4.48Å; I50-L52 HydrophobicContact CG2-CD2 4.29Å; I50-L52 HydrophobicContact CG2-CG 4.04Å; L52-T54 HydrophobicContact CB-CG2 4.14Å; L52-V58 WeakPolarHBondContact O-CA 3.49Å; L52-G59 PolarHBondContact O-N 2.84Å; L52-T60 HydrophobicContact CD1-CG2 4.38Å; L52-V63 HydrophobicContact CB-CG2 4.37Å; L52-V63 HydrophobicContact CD1-CB 4.13Å; L52-V63 HydrophobicContact CD1-CG1 3.82Å; L52-A282 HydrophobicContact CD2-CB 3.55Å; L52-A397 HydrophobicContact CD2-CB 3.89Å; L52-F398 HydrophobicContact CD1-CD1 4.41Å; L52-F398 HydrophobicContact CD1-CE1 3.73Å
53	V	98.9	Very high	98.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	100.6	167.8	177.5	0	0	0	0	106.3	V58 V93 F102 M122 A126 L129 G280 A281	V53-V58 HydrophobicContact CG1-CG2 4.21Å; V53-V58 HydrophobicContact CG2-CG1 4.21Å; V53-V93 HydrophobicContact CG1-CG1 3.78Å; V53-V93 HydrophobicContact CG1-CG2 4.01Å; V53-F102 HydrophobicContact CG1-CD2 3.72Å; V53-F102 HydrophobicContact CG1-CE2 3.95Å; V53-F102 HydrophobicContact CG1-CG 4.1Å; V53-F102 HydrophobicContact CG1-CZ 4.49Å; V53-F102 HydrophobicContact CG2-CD2 4.17Å; V53-F102 HydrophobicContact CG2-CE2 4.02Å; V53-M122 HydrophobicContact CG1-CB 4.33Å; V53-M122 HydrophobicContact CG1-CG 4.18Å; V53-M122 HydrophobicContact CG1-SD 4.48Å; V53-A126 HydrophobicContact CG2-CB 4.12Å; V53-L129 HydrophobicContact CG2-CD1 4.33Å; V53-G280 CarbonylContact O-C 3.48Å; V53-G280 WeakPolarHBondContact O-CA 3.23Å; V53-A281 PolarHBondContact N-O 3.16Å; V53-A281 PolarHBondContact O-N 2.93Å; V53-A281 VanDerWaalsContact O-O 3.14Å
54	T	98.9	Very high	98.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	170.4	-168.4	70.4	0	0	0	0	112	L52 L56 G57 V63 P94 L387	L52-T54 HydrophobicContact CB-CG2 4.14Å; T54-L56 PolarHBondContact O-N 3Å; T54-L56 PolarHBondContact OG1-N 3.48Å; T54-G57 PolarHBondContact N-O 2.74Å; T54-G57 CarbonylContact O-C 3.54Å; T54-G57 PolarHBondContact O-N 2.9Å; T54-G57 PolarHBondContact OG1-O 2.79Å; T54-V63 HydrophobicContact CG2-CG1 4.47Å; T54-P94 WeakPolarHBondContact O-CD 3.15Å; T54-L387 HydrophobicContact CG2-CD1 4.31Å
55	P	98.9	Very high	98.8	Very high	8 Å²	8	13.8 Å²	13.8	5%	0.052	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.4	173.7	-28.6	41.9	0	0	0	114.7	G57 A91 Y92 E279 T384 L387	P55-G57 VanDerWaalsContact C-N 3.3Å; P55-A91 HydrophobicContact CB-CB 3.72Å; P55-A91 HydrophobicContact CG-CB 3.68Å; P55-A91 VanDerWaalsContact CG-O 3.24Å; P55-A91 WeakPolarHBondContact CG-O 3.41Å; P55-Y92 VanDerWaalsContact CA-O 3.27Å; P55-Y92 WeakPolarHBondContact CA-O 3.47Å; P55-Y92 WeakPolarHBondContact CB-O 3.45Å; P55-E279 WeakPolarHBondContact CD-O 3.43Å; P55-E279 WeakPolarHBondContact CG-O 3.38Å; P55-T384 WeakPolarHBondContact CG-O 3.47Å; P55-L387 HydrophobicContact CG-CD2 3.86Å
56	L	98.8	Very high	98.8	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.031	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.5	171.2	-67.7	175.8	0	0	0	112.7	T54 V63 R66 L67 K71 A383 T384	T54-L56 PolarHBondContact O-N 3Å; T54-L56 PolarHBondContact OG1-N 3.48Å; L56-V63 HydrophobicContact CB-CG1 4.13Å; L56-V63 HydrophobicContact CD1-CG1 4.31Å; L56-R66 WeakPolarHBondContact O-CD 3.45Å; L56-R66 PolarHBondContact O-NH1 2.65Å; L56-L67 HydrophobicContact CD1-CB 3.9Å; L56-L67 HydrophobicContact CD1-CD1 4.08Å; L56-K71 HydrophobicContact CD2-CB 4.15Å; L56-K71 WeakPolarHBondContact CD2-O 3.22Å; L56-A383 HydrophobicContact CD1-CB 4.02Å; L56-A383 HydrophobicContact CD2-CB 4.3Å; L56-T384 HydrophobicContact CD1-CG2 3.91Å; L56-T384 HydrophobicContact CG-CG2 4.24Å
57	G	98.8	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.6	-173.6	-178.7	0	0	0	0	0	113.6	T54 P55 V63 G100	T54-G57 PolarHBondContact N-O 2.74Å; T54-G57 CarbonylContact O-C 3.54Å; T54-G57 PolarHBondContact O-N 2.9Å; T54-G57 PolarHBondContact OG1-O 2.79Å; P55-G57 VanDerWaalsContact C-N 3.3Å; G57-V63 WeakPolarHBondContact O-CG2 3.38Å; G57-G100 CarbonylContact C-O 3.56Å; G57-G100 VanDerWaalsContact CA-O 3.23Å; G57-G100 WeakPolarHBondContact CA-O 3.47Å
58	V	98.9	Very high	98.8	Very high	17 Å²	17	19.2 Å²	19.2	10%	0.103	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.8	179.1	-178.6	0	0	0	0	110.2	L52 V53 V93 G100 F102 L129	L52-V58 WeakPolarHBondContact O-CA 3.49Å; V53-V58 HydrophobicContact CG1-CG2 4.21Å; V53-V58 HydrophobicContact CG2-CG1 4.21Å; V58-V93 HydrophobicContact CG2-CG1 4.26Å; V58-G100 PolarHBondContact N-O 3Å; V58-G100 WeakPolarHBondContact O-CA 3.08Å; V58-F102 HydrophobicContact CG2-CB 3.63Å; V58-F102 HydrophobicContact CG2-CD2 3.97Å; V58-F102 HydrophobicContact CG2-CG 4.26Å; V58-L129 HydrophobicContact CG1-CD1 3.68Å
59	G	98.6	Very high	98.8	Very high	17 Å²	17	22.4 Å²	22.4	18%	0.175	13%	0.125	C	C	.	.	S	Bend	trans	104.9	130.9	-178	0	0	0	0	0	112.8	L52 V63	L52-G59 PolarHBondContact O-N 2.84Å; G59-V63 WeakPolarHBondContact O-CB 3.33Å; G59-V63 VanDerWaalsContact O-CG2 3.24Å; G59-V63 WeakPolarHBondContact O-CG2 3.27Å; G59-V63 PolarHBondContact O-N 2.96Å
60	T	98.6	Very high	98.8	Very high	10 Å²	10	23.7 Å²	23.7	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-53.7	-166.2	-59.5	0	0	0	0	113.9	I50 L52 V63 W64 L401	I50-T60 VanDerWaalsContact C-OG1 3.23Å; I50-T60 HydrophobicContact CB-CG2 3.79Å; I50-T60 HydrophobicContact CD1-CG2 4.48Å; I50-T60 HydrophobicContact CG2-CG2 3.59Å; I50-T60 PolarHBondContact O-OG1 3.31Å; L52-T60 HydrophobicContact CD1-CG2 4.38Å; T60-V63 PolarHBondContact O-N 2.78Å; T60-W64 WeakPolarHBondContact O-CB 3.22Å; T60-W64 PolarHBondContact O-N 3.06Å; T60-L401 HydrophobicContact CG2-CD1 3.99Å; T60-L401 HydrophobicContact CG2-CD2 4.5Å
61	H	98.6	Very high	98.8	Very high	74 Å²	74	29.5 Å²	29.5	34%	0.343	16%	0.163	S	C	.	.	H	α-helix	trans	-67.1	-41.9	-176.5	-65.3	-67.4	0	0	0	112.3	V63 W64 D65 Y405	H61-V63 PolarHBondContact O-N 3.31Å; H61-W64 WeakPolarHBondContact O-CB 3.45Å; H61-W64 PolarHBondContact O-N 3.07Å; H61-D65 WeakPolarHBondContact O-CB 3.41Å; H61-D65 VanDerWaalsContact O-CG 3.25Å; H61-D65 PolarHBondContact O-N 2.94Å; H61-Y405 PolarHBondContact ND1-OH 3.48Å
62	L	98.8	Very high	98.8	Very high	47 Å²	47	32 Å²	32	25%	0.246	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-45	176	177.6	67.1	0	0	0	111.9	W64 D65 R66	L62-W64 VanDerWaalsContact C-N 3.34Å; L62-D65 PolarHBondContact O-N 2.73Å; L62-R66 WeakPolarHBondContact O-CB 3.42Å; L62-R66 WeakPolarHBondContact O-CG 3.5Å; L62-R66 PolarHBondContact O-N 3.38Å
63	V	98.9	Very high	98.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-44.3	177.6	168.7	0	0	0	0	110.5	L52 T54 L56 G57 G59 T60 H61 R66 L67 F398	L52-V63 HydrophobicContact CB-CG2 4.37Å; L52-V63 HydrophobicContact CD1-CB 4.13Å; L52-V63 HydrophobicContact CD1-CG1 3.82Å; T54-V63 HydrophobicContact CG2-CG1 4.47Å; L56-V63 HydrophobicContact CB-CG1 4.13Å; L56-V63 HydrophobicContact CD1-CG1 4.31Å; G57-V63 WeakPolarHBondContact O-CG2 3.38Å; G59-V63 WeakPolarHBondContact O-CB 3.33Å; G59-V63 VanDerWaalsContact O-CG2 3.24Å; G59-V63 WeakPolarHBondContact O-CG2 3.27Å; G59-V63 PolarHBondContact O-N 2.96Å; T60-V63 PolarHBondContact O-N 2.78Å; H61-V63 PolarHBondContact O-N 3.31Å; V63-R66 PolarHBondContact O-N 2.87Å; V63-L67 WeakPolarHBondContact O-CB 3.43Å; V63-L67 PolarHBondContact O-N 2.77Å; V63-F398 HydrophobicContact CG1-CE1 3.84Å; V63-F398 HydrophobicContact CG1-CZ 4.1Å
64	W	98.9	Very high	98.8	Very high	8 Å²	8	33.1 Å²	33.1	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-46.5	176.2	179.3	-106.3	0	0	0	112.7	T60 H61 L62 R66 L67 I68 F398 L401 A402 Y405	T60-W64 WeakPolarHBondContact O-CB 3.22Å; T60-W64 PolarHBondContact O-N 3.06Å; H61-W64 WeakPolarHBondContact O-CB 3.45Å; H61-W64 PolarHBondContact O-N 3.07Å; L62-W64 VanDerWaalsContact C-N 3.34Å; W64-R66 VanDerWaalsContact C-N 3.32Å; W64-R66 PolarHBondContact O-N 2.9Å; W64-L67 HydrophobicContact CE3-CD2 4.13Å; W64-L67 HydrophobicContact CZ3-CD2 4.22Å; W64-L67 WeakPolarHBondContact O-CB 3.46Å; W64-L67 PolarHBondContact O-N 3.43Å; W64-I68 HydrophobicContact CD2-CG1 4.02Å; W64-I68 HydrophobicContact CG-CG1 4.44Å; W64-I68 HydrophobicContact CH2-CD1 3.93Å; W64-I68 HydrophobicContact CH2-CG1 4.41Å; W64-I68 HydrophobicContact CZ2-CD1 3.65Å; W64-I68 HydrophobicContact CZ2-CG1 3.83Å; W64-I68 HydrophobicContact CZ3-CD1 4.49Å; W64-I68 WeakPolarHBondContact O-CB 3.39Å; W64-I68 WeakPolarHBondContact O-CG1 3.15Å; W64-I68 PolarHBondContact O-N 3.33Å; W64-F398 HydrophobicContact CE3-CD1 4.28Å; W64-F398 HydrophobicContact CZ3-CB 4.25Å; W64-F398 WeakPolarHBondContact CZ3-O 3.1Å; W64-L401 HydrophobicContact CB-CD1 3.86Å; W64-L401 HydrophobicContact CD2-CB 3.78Å; W64-L401 HydrophobicContact CD2-CD1 3.81Å; W64-L401 HydrophobicContact CD2-CG 4.39Å; W64-L401 HydrophobicContact CE3-CB 3.57Å; W64-L401 HydrophobicContact CE3-CD1 3.63Å; W64-L401 HydrophobicContact CE3-CG 4.27Å; W64-L401 HydrophobicContact CG-CD1 3.93Å; W64-L401 HydrophobicContact CH2-CB 3.87Å; W64-L401 HydrophobicContact CZ2-CB 4.05Å; W64-L401 HydrophobicContact CZ3-CB 3.63Å; W64-L401 HydrophobicContact CZ3-CD1 4.43Å; W64-A402 HydrophobicContact CH2-CB 4.1Å; W64-Y405 AromaticContact CD1-CE2 3.76Å; W64-Y405 AromaticContact CE2-CD2 3.65Å; W64-Y405 HydrophobicContact CG-CE2 4.45Å; W64-Y405 AromaticContact CZ2-CD2 3.93Å; W64-Y405 HydrophobicContact CZ2-CD2 3.93Å; W64-Y405 AromaticContact NE1-CD2 3.27Å; W64-Y405 VanDerWaalsContact NE1-CD2 3.27Å; W64-Y405 AromaticContact NE1-CE2 3.5Å
65	D	98.9	Very high	98.8	Very high	101 Å²	101	36.4 Å²	36.4	54%	0.54	21%	0.208	S	C	.	.	H	α-helix	trans	-61.3	-42.3	179	-70.3	-19.1	0	0	0	111.3	H61 L62 A69	H61-D65 WeakPolarHBondContact O-CB 3.41Å; H61-D65 VanDerWaalsContact O-CG 3.25Å; H61-D65 PolarHBondContact O-N 2.94Å; L62-D65 PolarHBondContact O-N 2.73Å; D65-A69 WeakPolarHBondContact O-CB 3.44Å; D65-A69 PolarHBondContact O-N 2.67Å
66	R	98.9	Very high	98.8	Very high	87 Å²	87	38.9 Å²	38.9	33%	0.328	23%	0.226	S	C	.	.	H	α-helix	trans	-65.4	-40.1	175.4	-73.7	177.2	176.3	176.4	2.9	112.1	L56 L62 V63 W64 A69 G70 K71	L56-R66 WeakPolarHBondContact O-CD 3.45Å; L56-R66 PolarHBondContact O-NH1 2.65Å; L62-R66 WeakPolarHBondContact O-CB 3.42Å; L62-R66 WeakPolarHBondContact O-CG 3.5Å; L62-R66 PolarHBondContact O-N 3.38Å; V63-R66 PolarHBondContact O-N 2.87Å; W64-R66 VanDerWaalsContact C-N 3.32Å; W64-R66 PolarHBondContact O-N 2.9Å; R66-A69 PolarHBondContact O-N 3.39Å; R66-G70 PolarHBondContact O-N 3.11Å; R66-K71 HydrophobicContact CB-CB 4.15Å; R66-K71 HydrophobicContact CB-CG 4.13Å; R66-K71 HydrophobicContact CG-CG 4.4Å; R66-K71 VanDerWaalsContact O-CB 3.31Å; R66-K71 WeakPolarHBondContact O-CB 3.3Å; R66-K71 WeakPolarHBondContact O-CG 3.46Å; R66-K71 PolarHBondContact O-N 3.4Å
67	L	98.9	Very high	98.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-49.9	176.2	179.3	61.3	0	0	0	111.3	L56 V63 W64 A69 G70 T380 A383 F398 P409	L56-L67 HydrophobicContact CD1-CB 3.9Å; L56-L67 HydrophobicContact CD1-CD1 4.08Å; V63-L67 WeakPolarHBondContact O-CB 3.43Å; V63-L67 PolarHBondContact O-N 2.77Å; W64-L67 HydrophobicContact CE3-CD2 4.13Å; W64-L67 HydrophobicContact CZ3-CD2 4.22Å; W64-L67 WeakPolarHBondContact O-CB 3.46Å; W64-L67 PolarHBondContact O-N 3.43Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 3.4Å; L67-G70 PolarHBondContact O-N 3.47Å; L67-T380 HydrophobicContact CD1-CG2 3.99Å; L67-T380 HydrophobicContact CD2-CG2 3.95Å; L67-T380 HydrophobicContact CG-CG2 4.45Å; L67-A383 HydrophobicContact CD1-CB 3.54Å; L67-F398 HydrophobicContact CD2-CB 4.25Å; L67-F398 HydrophobicContact CD2-CD1 3.59Å; L67-F398 HydrophobicContact CD2-CD2 3.87Å; L67-F398 HydrophobicContact CD2-CE1 3.82Å; L67-F398 HydrophobicContact CD2-CE2 4.07Å; L67-F398 HydrophobicContact CD2-CG 3.63Å; L67-F398 HydrophobicContact CD2-CZ 4.05Å; L67-P409 HydrophobicContact CD1-CB 4.21Å; L67-P409 HydrophobicContact CD2-CB 3.77Å; L67-P409 HydrophobicContact CD2-CG 4.32Å; L67-P409 HydrophobicContact CG-CB 3.7Å
68	I	98.9	Very high	98.6	Very high	27 Å²	27	46 Å²	46	14%	0.138	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-35	177.5	-70	-57.7	0	0	0	111.8	W64 G70 K407 P409 A430	W64-I68 HydrophobicContact CD2-CG1 4.02Å; W64-I68 HydrophobicContact CG-CG1 4.44Å; W64-I68 HydrophobicContact CH2-CD1 3.93Å; W64-I68 HydrophobicContact CH2-CG1 4.41Å; W64-I68 HydrophobicContact CZ2-CD1 3.65Å; W64-I68 HydrophobicContact CZ2-CG1 3.83Å; W64-I68 HydrophobicContact CZ3-CD1 4.49Å; W64-I68 WeakPolarHBondContact O-CB 3.39Å; W64-I68 WeakPolarHBondContact O-CG1 3.15Å; W64-I68 PolarHBondContact O-N 3.33Å; I68-G70 PolarHBondContact O-N 2.67Å; I68-K407 HydrophobicContact CD1-CD 4.33Å; I68-K407 HydrophobicContact CD1-CG 4.15Å; I68-K407 HydrophobicContact CG2-CD 4.14Å; I68-P409 HydrophobicContact CD1-CB 4.23Å; I68-A430 HydrophobicContact CD1-CB 4.14Å; I68-A430 HydrophobicContact CG2-CB 3.93Å; I68-A430 WeakPolarHBondContact O-CB 3.45Å
69	A	98.8	Very high	98.3	Very high	68 Å²	68	47 Å²	47	56%	0.562	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	2.5	173.9	0	0	0	0	0	114	D65 R66 L67 K71	D65-A69 WeakPolarHBondContact O-CB 3.44Å; D65-A69 PolarHBondContact O-N 2.67Å; R66-A69 PolarHBondContact O-N 3.39Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 3.4Å; A69-K71 HydrophobicContact CB-CG 4.42Å; A69-K71 PolarHBondContact O-N 2.99Å
70	G	98.6	Very high	98.1	Very high	26 Å²	26	52.9 Å²	52.9	27%	0.268	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	30.5	177.6	0	0	0	0	0	114.2	R66 L67 I68	R66-G70 PolarHBondContact O-N 3.11Å; L67-G70 PolarHBondContact O-N 3.47Å; I68-G70 PolarHBondContact O-N 2.67Å
71	K	98.8	Very high	98	Very high	123 Å²	123	57.7 Å²	57.7	54%	0.535	33%	0.327	S	S	.	.			trans	-74.8	155.3	173	-58.8	-63.5	-178.4	-178.8	0	110.5	L56 R66 A69 A383	L56-K71 HydrophobicContact CD2-CB 4.15Å; L56-K71 WeakPolarHBondContact CD2-O 3.22Å; R66-K71 HydrophobicContact CB-CB 4.15Å; R66-K71 HydrophobicContact CB-CG 4.13Å; R66-K71 HydrophobicContact CG-CG 4.4Å; R66-K71 VanDerWaalsContact O-CB 3.31Å; R66-K71 WeakPolarHBondContact O-CB 3.3Å; R66-K71 WeakPolarHBondContact O-CG 3.46Å; R66-K71 PolarHBondContact O-N 3.4Å; A69-K71 HydrophobicContact CB-CG 4.42Å; A69-K71 PolarHBondContact O-N 2.99Å; K71-A383 VanDerWaalsContact O-CB 3.26Å; K71-A383 WeakPolarHBondContact O-CB 3.29Å
72	S	98.8	Very high	98	Very high	52 Å²	52	55.2 Å²	55.2	36%	0.364	31%	0.314	S	S	.	.			trans	-129	140.6	173.2	-176.2	0	0	0	0	110.4	I74 G382 A383	S72-I74 PolarHBondContact OG-N 3.07Å; S72-G382 PolarHBondContact OG-O 3.48Å; S72-A383 WeakPolarHBondContact CA-O 3.45Å
73	G	98.7	Very high	97.7	Very high	11 Å²	11	59.3 Å²	59.3	11%	0.113	33%	0.33	C	S	.	.			trans	-94.5	6.3	173.8	0	0	0	0	0	113.8	A91 A383	G73-A91 WeakPolarHBondContact O-CA 3.24Å; G73-A383 PolarHBondContact N-O 2.94Å
74	I	98.9	Very high	97.6	Very high	13 Å²	13	64.6 Å²	64.6	7%	0.067	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.8	178.3	-62	169.6	0	0	0	109.9	S72 V89 A91 P261 C265 V276	S72-I74 PolarHBondContact OG-N 3.07Å; I74-V89 HydrophobicContact CG2-CB 4.2Å; I74-A91 HydrophobicContact CG1-CB 4.05Å; I74-P261 HydrophobicContact CG2-CB 3.82Å; I74-P261 WeakPolarHBondContact CG2-O 3.32Å; I74-C265 HydrophobicContact CD1-CB 3.36Å; I74-V276 HydrophobicContact CD1-CB 4.15Å; I74-V276 HydrophobicContact CD1-CG1 4.18Å; I74-V276 HydrophobicContact CD1-CG2 4.3Å; I74-V276 HydrophobicContact CG1-CG1 4.04Å; I74-V276 HydrophobicContact CG2-CG1 3.84Å
75	V	98.8	Very high	97.6	Very high	68 Å²	68	64.6 Å²	64.6	41%	0.412	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.2	-179.2	-63	0	0	0	0	111	V89 A90 Y92	V75-V89 VanDerWaalsContact O-CA 3.25Å; V75-V89 WeakPolarHBondContact O-CA 3.48Å; V75-V89 WeakPolarHBondContact O-CB 3.4Å; V75-A90 PolarHBondContact N-O 2.82Å; V75-A90 PolarHBondContact O-N 2.89Å; V75-A90 VanDerWaalsContact O-O 3.11Å; V75-Y92 HydrophobicContact CG2-CD2 3.82Å; V75-Y92 HydrophobicContact CG2-CE2 4.35Å
76	S	98.6	Very high	97.5	Very high	60 Å²	60	63.4 Å²	63.4	42%	0.42	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	142	169.9	-59.2	0	0	0	0	110.6	R88 P261	S76-R88 WeakPolarHBondContact CA-O 3.33Å; S76-P261 WeakPolarHBondContact OG-CD 3.41Å
77	L	98.1	Very high	97.5	Very high	25 Å²	25	59.3 Å²	59.3	13%	0.131	35%	0.35	C	S	.	.			trans	-64.8	142.9	169.6	-65.6	170.9	0	0	0	109.9	Y82 R88 A90 Y92 L246	L77-Y82 HydrophobicContact CB-CD2 4.24Å; L77-Y82 HydrophobicContact CB-CG 4.3Å; L77-Y82 HydrophobicContact CD1-CD1 3.99Å; L77-Y82 HydrophobicContact CD1-CG 4.12Å; L77-Y82 HydrophobicContact CD2-CE1 4.49Å; L77-R88 PolarHBondContact N-O 3.06Å; L77-A90 HydrophobicContact CD2-CB 3.7Å; L77-Y92 HydrophobicContact CD2-CE2 4.03Å; L77-Y92 WeakPolarHBondContact CD2-OH 3.45Å; L77-L246 HydrophobicContact CD1-CD1 3.56Å; L77-L246 HydrophobicContact CD2-CD1 4.09Å
78	V	96	Very high	97.5	Very high	130 Å²	130	63.3 Å²	63.3	79%	0.788	37%	0.365	S	S	*	.			trans	-121.4	134.5	175.4	-178.5	0	0	0	0	107.8	Y82	V78-Y82 WeakPolarHBondContact O-CE2 3.28Å
79	G	92.3	Very high	97.5	Very high	38 Å²	38	62 Å²	62	39%	0.392	36%	0.359	S	S	.	.	S	Bend	trans	127.5	141.6	178.9	0	0	0	0	0	113.5	E81 Y82	G79-E81 WeakPolarHBondContact CA-OE2 3.41Å; G79-E81 PolarHBondContact O-N 2.79Å; G79-Y82 PolarHBondContact O-N 2.85Å
80	E	95.2	Very high	97.5	Very high	141 Å²	141	58.8 Å²	58.8	66%	0.659	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-69.6	-23.1	178.4	-72.1	-69.9	131.3	0	0	112.1	Y82 K83	E80-Y82 PolarHBondContact O-N 2.87Å; E80-Y82 VanDerWaalsContact O-N 3.14Å; E80-K83 WeakPolarHBondContact O-CB 3.28Å; E80-K83 PolarHBondContact O-N 3.4Å; E80-K83 VanDerWaalsContact OE2-CD 3.28Å; E80-K83 WeakPolarHBondContact OE2-CD 3.36Å; E80-K83 IonicContact OE2-NZ 2.83Å; E80-K83 PolarHBondContact OE2-NZ 3.03Å
81	E	96.3	Very high	97.5	Very high	111 Å²	111	57.5 Å²	57.5	52%	0.519	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-61.3	-20.5	178.3	65.5	-87.1	-155.3	0	0	113.3	G79 P243	G79-E81 WeakPolarHBondContact CA-OE2 3.41Å; G79-E81 PolarHBondContact O-N 2.79Å; E81-P243 HydrophobicContact CB-CG 4.01Å; E81-P243 HydrophobicContact CG-CG 3.68Å
82	Y	97.3	Very high	97.5	Very high	22 Å²	22	54.9 Å²	54.9	9%	0.086	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-90.9	-8.1	177	-59	-73.6	0	0	0	113.2	L77 V78 G79 E80 S84 I85 R88 P243 L246	L77-Y82 HydrophobicContact CB-CD2 4.24Å; L77-Y82 HydrophobicContact CB-CG 4.3Å; L77-Y82 HydrophobicContact CD1-CD1 3.99Å; L77-Y82 HydrophobicContact CD1-CG 4.12Å; L77-Y82 HydrophobicContact CD2-CE1 4.49Å; V78-Y82 WeakPolarHBondContact O-CE2 3.28Å; G79-Y82 PolarHBondContact O-N 2.85Å; E80-Y82 PolarHBondContact O-N 2.87Å; E80-Y82 VanDerWaalsContact O-N 3.14Å; Y82-S84 VanDerWaalsContact C-N 3.27Å; Y82-S84 PolarHBondContact O-N 3.17Å; Y82-I85 HydrophobicContact CD1-CD1 4.13Å; Y82-I85 WeakPolarHBondContact O-CB 3.34Å; Y82-I85 PolarHBondContact O-N 2.84Å; Y82-R88 PolarHBondContact O-NH1 2.66Å; Y82-P243 HydrophobicContact CD1-CB 4.5Å; Y82-P243 HydrophobicContact CD1-CG 4.22Å; Y82-P243 HydrophobicContact CE1-CB 4.35Å; Y82-P243 HydrophobicContact CE1-CG 3.75Å; Y82-L246 HydrophobicContact CD1-CD1 3.7Å; Y82-L246 HydrophobicContact CE1-CD1 3.57Å
83	K	93.9	Very high	97.5	Very high	133 Å²	133	52.6 Å²	52.6	58%	0.578	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.4	-164.3	-172.6	173.7	-167.5	163.5	0	116.2	E80 R88	E80-K83 WeakPolarHBondContact O-CB 3.28Å; E80-K83 PolarHBondContact O-N 3.4Å; E80-K83 VanDerWaalsContact OE2-CD 3.28Å; E80-K83 WeakPolarHBondContact OE2-CD 3.36Å; E80-K83 IonicContact OE2-NZ 2.83Å; E80-K83 PolarHBondContact OE2-NZ 3.03Å; K83-R88 VanDerWaalsContact CA-NH1 3.32Å; K83-R88 PolarHBondContact O-NH1 3.11Å; K83-R88 PolarHBondContact O-NH2 2.89Å
84	S	95.9	Very high	97.5	Very high	112 Å²	112	54 Å²	54	78%	0.783	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-8.5	177.9	57.5	0	0	0	0	114.1	Y82	Y82-S84 VanDerWaalsContact C-N 3.27Å; Y82-S84 PolarHBondContact O-N 3.17Å
85	I	98.4	Very high	97.5	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.041	31%	0.314	C	S	.	.			trans	-86.5	132.3	-173.9	-56.6	173.9	0	0	0	109.8	Y82 C87 R88 P243 L246 A247 S250	Y82-I85 HydrophobicContact CD1-CD1 4.13Å; Y82-I85 WeakPolarHBondContact O-CB 3.34Å; Y82-I85 PolarHBondContact O-N 2.84Å; I85-C87 HydrophobicContact CG2-CB 4.42Å; I85-C87 PolarHBondContact O-N 2.82Å; I85-R88 PolarHBondContact O-NE 3.5Å; I85-R88 PolarHBondContact O-NH1 3.34Å; I85-R88 PolarHBondContact O-NH2 3.36Å; I85-R88 VanDerWaalsContact O-NH2 3.12Å; I85-P243 HydrophobicContact CD1-CB 4.19Å; I85-P243 VanDerWaalsContact CD1-O 3.25Å; I85-P243 WeakPolarHBondContact CD1-O 3.39Å; I85-L246 HydrophobicContact CD1-CB 4.16Å; I85-L246 HydrophobicContact CG2-CB 4.15Å; I85-A247 HydrophobicContact CD1-CB 4.31Å; I85-A247 HydrophobicContact CG1-CB 4.4Å; I85-S250 WeakPolarHBondContact CG2-OG 3.41Å
86	P	98.4	Very high	97.4	Very high	75 Å²	75	56.9 Å²	56.9	49%	0.487	31%	0.309	S	S	.	.	S	Bend	trans	-60	-42.3	179.3	-26.8	35.3	0	0	0	114.2	T257	P86-T257 HydrophobicContact CB-CG2 4.11Å
87	C	98.4	Very high	97.3	Very high	1 Å²	1	59 Å²	59	1%	0.007	32%	0.323	C	S	.	.			trans	-69.3	135.1	176.1	-179.5	0	0	0	0	111.2	I85 V89 L255	I85-C87 HydrophobicContact CG2-CB 4.42Å; I85-C87 PolarHBondContact O-N 2.82Å; C87-V89 PolarHBondContact SG-O 3.37Å; C87-L255 HydrophobicContact CB-CB 3.89Å; C87-L255 HydrophobicContact CB-CD1 3.75Å; C87-L255 HydrophobicContact CB-CG 4.47Å
88	R	98.3	Very high	97.3	Very high	85 Å²	85	62.6 Å²	62.6	32%	0.321	34%	0.343	S	S	.	.			trans	-122.4	8.4	-176.5	-60.7	-59.4	-178.4	-167.7	-6.2	114.5	S76 L77 Y82 K83 I85	S76-R88 WeakPolarHBondContact CA-O 3.33Å; L77-R88 PolarHBondContact N-O 3.06Å; Y82-R88 PolarHBondContact O-NH1 2.66Å; K83-R88 VanDerWaalsContact CA-NH1 3.32Å; K83-R88 PolarHBondContact O-NH1 3.11Å; K83-R88 PolarHBondContact O-NH2 2.89Å; I85-R88 PolarHBondContact O-NE 3.5Å; I85-R88 PolarHBondContact O-NH1 3.34Å; I85-R88 PolarHBondContact O-NH2 3.36Å; I85-R88 VanDerWaalsContact O-NH2 3.12Å
89	V	98.8	Very high	97.2	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.5	-172.6	-64.2	0	0	0	0	110.8	I74 V75 C87 P261 A264 V276	I74-V89 HydrophobicContact CG2-CB 4.2Å; V75-V89 VanDerWaalsContact O-CA 3.25Å; V75-V89 WeakPolarHBondContact O-CA 3.48Å; V75-V89 WeakPolarHBondContact O-CB 3.4Å; C87-V89 PolarHBondContact SG-O 3.37Å; V89-P261 HydrophobicContact CG1-CB 3.93Å; V89-A264 HydrophobicContact CG1-CB 4.46Å; V89-A264 HydrophobicContact CG2-CB 3.65Å; V89-V276 HydrophobicContact CB-CG1 4.46Å; V89-V276 HydrophobicContact CG2-CG1 4Å; V89-V276 HydrophobicContact CG2-CG2 3.8Å
90	A	98.8	Very high	97.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	171.4	172.3	0	0	0	0	0	110	V75 L77 Y92 I241 M277	V75-A90 PolarHBondContact N-O 2.82Å; V75-A90 PolarHBondContact O-N 2.89Å; V75-A90 VanDerWaalsContact O-O 3.11Å; L77-A90 HydrophobicContact CD2-CB 3.7Å; A90-Y92 HydrophobicContact CB-CD2 4.44Å; A90-Y92 HydrophobicContact CB-CE2 3.89Å; A90-I241 HydrophobicContact CB-CD1 4.14Å; A90-I241 HydrophobicContact CB-CG2 4.07Å; A90-M277 CarbonylContact C-O 3.29Å; A90-M277 VanDerWaalsContact CA-O 3.29Å; A90-M277 WeakPolarHBondContact CA-O 3.48Å; A90-M277 WeakPolarHBondContact CB-O 3.38Å
91	A	98.8	Very high	97.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	103.3	175.9	0	0	0	0	0	110.4	P55 G73 I74 M277 G278 E279 T384	P55-A91 HydrophobicContact CB-CB 3.72Å; P55-A91 HydrophobicContact CG-CB 3.68Å; P55-A91 VanDerWaalsContact CG-O 3.24Å; P55-A91 WeakPolarHBondContact CG-O 3.41Å; G73-A91 WeakPolarHBondContact O-CA 3.24Å; I74-A91 HydrophobicContact CG1-CB 4.05Å; A91-M277 PolarHBondContact N-O 3.22Å; A91-G278 CarbonylContact O-C 3.55Å; A91-G278 WeakPolarHBondContact O-CA 3.31Å; A91-E279 PolarHBondContact O-N 2.81Å; A91-E279 VanDerWaalsContact O-N 3.07Å; A91-T384 VanDerWaalsContact CB-O 3.24Å; A91-T384 WeakPolarHBondContact CB-O 3.49Å
92	Y	98.9	Very high	97.7	Very high	68 Å²	68	54.5 Å²	54.5	27%	0.267	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-94.1	145.5	-178.1	-65.6	-80.8	0	0	0	111.5	P55 V75 L77 A90 I241	P55-Y92 VanDerWaalsContact CA-O 3.27Å; P55-Y92 WeakPolarHBondContact CA-O 3.47Å; P55-Y92 WeakPolarHBondContact CB-O 3.45Å; V75-Y92 HydrophobicContact CG2-CD2 3.82Å; V75-Y92 HydrophobicContact CG2-CE2 4.35Å; L77-Y92 HydrophobicContact CD2-CE2 4.03Å; L77-Y92 WeakPolarHBondContact CD2-OH 3.45Å; A90-Y92 HydrophobicContact CB-CD2 4.44Å; A90-Y92 HydrophobicContact CB-CE2 3.89Å; Y92-I241 HydrophobicContact CD1-CD1 3.67Å; Y92-I241 HydrophobicContact CE1-CB 3.83Å; Y92-I241 HydrophobicContact CE1-CD1 3.65Å; Y92-I241 HydrophobicContact CE1-CG1 4.36Å; Y92-I241 HydrophobicContact CE1-CG2 3.6Å; Y92-I241 HydrophobicContact CG-CD1 4.32Å; Y92-I241 VanDerWaalsContact OH-CG2 3.27Å; Y92-I241 WeakPolarHBondContact OH-CG2 3.45Å
93	V	98.8	Very high	97.7	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.018	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63.4	126.6	165.5	174.7	0	0	0	0	108.1	V53 V58 R95 F102 M122 E279	V53-V93 HydrophobicContact CG1-CG1 3.78Å; V53-V93 HydrophobicContact CG1-CG2 4.01Å; V58-V93 HydrophobicContact CG2-CG1 4.26Å; V93-R95 PolarHBondContact O-N 3.11Å; V93-F102 HydrophobicContact CG1-CB 3.51Å; V93-F102 HydrophobicContact CG1-CG 4.14Å; V93-M122 HydrophobicContact CB-CE 4.22Å; V93-M122 HydrophobicContact CG2-CE 3.97Å; V93-M122 HydrophobicContact CG2-SD 4.19Å; V93-E279 HydrophobicContact CG2-CG 4.2Å; V93-E279 WeakPolarHBondContact CG2-O 3.34Å
94	P	98.6	Very high	97.9	Very high	41 Å²	41	51.2 Å²	51.2	27%	0.266	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-67.2	126.5	177.3	28	-33.7	0	0	0	109.5	T54 Q101 F102	T54-P94 WeakPolarHBondContact O-CD 3.15Å; P94-Q101 HydrophobicContact CB-CG 4.42Å; P94-Q101 CarbonylContact O-C 3.53Å; P94-Q101 WeakPolarHBondContact O-CA 3.35Å; P94-F102 PolarHBondContact O-N 2.99Å
95	R	98.3	Very high	97.9	Very high	112 Å²	112	51 Å²	51	42%	0.423	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-108.9	143.7	-176.5	-67.5	171.7	-178.1	-94.6	5.7	111.1	V93 F102 E104 S118 M122 E279	V93-R95 PolarHBondContact O-N 3.11Å; R95-F102 WeakPolarHBondContact CA-O 3.42Å; R95-F102 HydrophobicContact CG-CB 4.5Å; R95-E104 IonicContact CZ-OE1 2.79Å; R95-E104 IonicContact NH1-OE1 2.85Å; R95-E104 PolarHBondContact NH1-OE1 2.97Å; R95-S118 PolarHBondContact NH2-OG 3.16Å; R95-M122 VanDerWaalsContact NH2-CE 3.28Å; R95-E279 IonicContact NH2-OE1 3.17Å
96	G	97.5	Very high	97.8	Very high	29 Å²	29	55.8 Å²	55.8	30%	0.299	29%	0.29	S	S	.	.	S	Bend	trans	147.9	-172.5	-179.6	0	0	0	0	0	111.7	F102 N103	G96-F102 PolarHBondContact N-O 2.91Å; G96-F102 CarbonylContact O-C 3.46Å; G96-N103 WeakPolarHBondContact O-CB 3.24Å
97	S	96.5	Very high	97.8	Very high	104 Å²	104	53.1 Å²	53.1	73%	0.727	27%	0.271	S	S	*	.	S	Bend	trans	-97.4	-7.9	-174.4	51.6	0	0	0	0	114.5
98	D	97.5	Very high	97.7	Very high	101 Å²	101	53.3 Å²	53.3	54%	0.54	27%	0.272	S	S	.	.	S	Bend	trans	-74.4	159.7	-177.7	-52.7	-36.3	0	0	0	111.1	G100 Q101	D98-G100 PolarHBondContact O-N 3.48Å; D98-Q101 HydrophobicContact CB-CG 4.26Å; D98-Q101 WeakPolarHBondContact O-CB 3.37Å; D98-Q101 PolarHBondContact O-N 2.86Å; D98-Q101 PolarHBondContact OD2-NE2 2.72Å; D98-Q101 PolarHBondContact OD2-OE1 3.13Å
99	E	95.2	Very high	97.6	Very high	180 Å²	180	51.9 Å²	51.9	84%	0.841	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	130.5	174.2	-171.6	-179.7	170.5	0	0	110.9	Q101	E99-Q101 VanDerWaalsContact C-N 3.33Å
100	G	96.1	Very high	97.3	Very high	9 Å²	9	59 Å²	59	9%	0.093	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	1.8	-177.5	0	0	0	0	0	115.7	G57 V58 D98	G57-G100 CarbonylContact C-O 3.56Å; G57-G100 VanDerWaalsContact CA-O 3.23Å; G57-G100 WeakPolarHBondContact CA-O 3.47Å; V58-G100 PolarHBondContact N-O 3Å; V58-G100 WeakPolarHBondContact O-CA 3.08Å; D98-G100 PolarHBondContact O-N 3.48Å
101	Q	98.6	Very high	96.9	Very high	58 Å²	58	63.2 Å²	63.2	27%	0.271	34%	0.335	S	S	.	.	S	Bend	trans	-100.6	155.4	171.1	-63.5	172.5	-8	0	0	111.3	P94 D98 E99	P94-Q101 HydrophobicContact CB-CG 4.42Å; P94-Q101 CarbonylContact O-C 3.53Å; P94-Q101 WeakPolarHBondContact O-CA 3.35Å; D98-Q101 HydrophobicContact CB-CG 4.26Å; D98-Q101 WeakPolarHBondContact O-CB 3.37Å; D98-Q101 PolarHBondContact O-N 2.86Å; D98-Q101 PolarHBondContact OD2-NE2 2.72Å; D98-Q101 PolarHBondContact OD2-OE1 3.13Å; E99-Q101 VanDerWaalsContact C-N 3.33Å
102	F	98.6	Very high	96.7	Very high	3 Å²	3	65.3 Å²	65.3	1%	0.013	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-88.9	111.6	178.2	-166.1	-119.9	0	0	0	110.9	V53 V58 V93 P94 R95 G96 E104 F107 I121 M122	V53-F102 HydrophobicContact CG1-CD2 3.72Å; V53-F102 HydrophobicContact CG1-CE2 3.95Å; V53-F102 HydrophobicContact CG1-CG 4.1Å; V53-F102 HydrophobicContact CG1-CZ 4.49Å; V53-F102 HydrophobicContact CG2-CD2 4.17Å; V53-F102 HydrophobicContact CG2-CE2 4.02Å; V58-F102 HydrophobicContact CG2-CB 3.63Å; V58-F102 HydrophobicContact CG2-CD2 3.97Å; V58-F102 HydrophobicContact CG2-CG 4.26Å; V93-F102 HydrophobicContact CG1-CB 3.51Å; V93-F102 HydrophobicContact CG1-CG 4.14Å; P94-F102 PolarHBondContact O-N 2.99Å; R95-F102 WeakPolarHBondContact CA-O 3.42Å; R95-F102 HydrophobicContact CG-CB 4.5Å; G96-F102 PolarHBondContact N-O 2.91Å; G96-F102 CarbonylContact O-C 3.46Å; F102-E104 HydrophobicContact CD1-CG 4.04Å; F102-E104 HydrophobicContact CE1-CG 3.63Å; F102-E104 HydrophobicContact CZ-CG 4.42Å; F102-F107 HydrophobicContact CD2-CD2 4.33Å; F102-F107 AromaticContact CD2-CE2 3.79Å; F102-F107 HydrophobicContact CD2-CE2 3.79Å; F102-F107 AromaticContact CE2-CD2 3.62Å; F102-F107 HydrophobicContact CE2-CD2 3.62Å; F102-F107 AromaticContact CE2-CE2 3.45Å; F102-F107 HydrophobicContact CE2-CE2 3.45Å; F102-F107 VanDerWaalsContact CE2-CE2 3.45Å; F102-F107 HydrophobicContact CE2-CZ 4.48Å; F102-F107 HydrophobicContact CZ-CD2 4.16Å; F102-F107 HydrophobicContact CZ-CE2 4.41Å; F102-I121 HydrophobicContact CE1-CG2 4.18Å; F102-I121 HydrophobicContact CZ-CG2 4.02Å; F102-M122 HydrophobicContact CE1-CG 3.93Å; F102-M122 HydrophobicContact CZ-CG 4.09Å
103	N	98.1	Very high	96.4	Very high	41 Å²	41	64.1 Å²	64.1	22%	0.219	34%	0.344	C	S	.	.			trans	-109.3	108.8	167	-178.1	5.8	0	0	0	109.4	G96 Q105 N106 F107	G96-N103 WeakPolarHBondContact O-CB 3.24Å; N103-Q105 PolarHBondContact O-N 3.27Å; N103-Q105 PolarHBondContact OD1-N 3.42Å; N103-Q105 VanDerWaalsContact OD1-N 3.16Å; N103-N106 PolarHBondContact ND2-OD1 2.93Å; N103-N106 WeakPolarHBondContact O-CB 3.4Å; N103-N106 PolarHBondContact O-N 2.84Å; N103-N106 VanDerWaalsContact O-N 3.07Å; N103-F107 WeakPolarHBondContact O-CD2 3.49Å
104	E	97.3	Very high	96	Very high	46 Å²	46	71.7 Å²	71.7	22%	0.215	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-59	-32.4	-178.3	-57.8	176.6	159.9	0	0	112.5	R95 F102 N106 F107 V108 L113 I121	R95-E104 IonicContact CZ-OE1 2.79Å; R95-E104 IonicContact NH1-OE1 2.85Å; R95-E104 PolarHBondContact NH1-OE1 2.97Å; F102-E104 HydrophobicContact CD1-CG 4.04Å; F102-E104 HydrophobicContact CE1-CG 3.63Å; F102-E104 HydrophobicContact CZ-CG 4.42Å; E104-N106 PolarHBondContact O-N 2.88Å; E104-F107 PolarHBondContact O-N 3.17Å; E104-V108 HydrophobicContact CB-CG2 4.41Å; E104-V108 WeakPolarHBondContact O-CG2 3.5Å; E104-V108 PolarHBondContact O-N 2.9Å; E104-L113 HydrophobicContact CB-CD2 3.83Å; E104-L113 HydrophobicContact CG-CD2 4.42Å; E104-L113 VanDerWaalsContact OE2-CD2 3.29Å; E104-L113 WeakPolarHBondContact OE2-CD2 3.35Å; E104-I121 HydrophobicContact CB-CG2 4.01Å; E104-I121 HydrophobicContact CG-CG2 3.91Å
105	Q	96.1	Very high	95.9	Very high	108 Å²	108	70.6 Å²	70.6	51%	0.505	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-69	-14.5	-178.8	-66.2	-171.6	87.9	0	0	113.6	N103 V108	N103-Q105 PolarHBondContact O-N 3.27Å; N103-Q105 PolarHBondContact OD1-N 3.42Å; N103-Q105 VanDerWaalsContact OD1-N 3.16Å; Q105-V108 WeakPolarHBondContact CA-O 3.49Å
106	N	96.7	Very high	95.8	Very high	108 Å²	108	65.7 Å²	65.7	58%	0.578	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-71.2	-23.8	170.7	-67.3	-7.6	0	0	0	111.5	N103 E104	N103-N106 PolarHBondContact ND2-OD1 2.93Å; N103-N106 WeakPolarHBondContact O-CB 3.4Å; N103-N106 PolarHBondContact O-N 2.84Å; N103-N106 VanDerWaalsContact O-N 3.07Å; E104-N106 PolarHBondContact O-N 2.88Å
107	F	97.4	Very high	95.8	Very high	19 Å²	19	64.4 Å²	64.4	8%	0.083	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-30	-171.1	-54.8	-67.3	0	0	0	113.3	F102 N103 E104 I124 E128 R196	F102-F107 HydrophobicContact CD2-CD2 4.33Å; F102-F107 AromaticContact CD2-CE2 3.79Å; F102-F107 HydrophobicContact CD2-CE2 3.79Å; F102-F107 AromaticContact CE2-CD2 3.62Å; F102-F107 HydrophobicContact CE2-CD2 3.62Å; F102-F107 AromaticContact CE2-CE2 3.45Å; F102-F107 HydrophobicContact CE2-CE2 3.45Å; F102-F107 VanDerWaalsContact CE2-CE2 3.45Å; F102-F107 HydrophobicContact CE2-CZ 4.48Å; F102-F107 HydrophobicContact CZ-CD2 4.16Å; F102-F107 HydrophobicContact CZ-CE2 4.41Å; N103-F107 WeakPolarHBondContact O-CD2 3.49Å; E104-F107 PolarHBondContact O-N 3.17Å; F107-I124 HydrophobicContact CB-CG2 4.31Å; F107-E128 HydrophobicContact CD1-CB 4.19Å; F107-E128 HydrophobicContact CE1-CB 4.34Å; F107-R196 PolarHBondContact O-NH2 2.88Å
108	V	96.8	Very high	95.9	Very high	5 Å²	5	61 Å²	61	3%	0.03	32%	0.315	C	S	.	.	S	Bend	trans	-140.3	151.4	-176	-65.8	0	0	0	0	111.9	E104 Q105 D112 L113 M116 I121 I124	E104-V108 HydrophobicContact CB-CG2 4.41Å; E104-V108 WeakPolarHBondContact O-CG2 3.5Å; E104-V108 PolarHBondContact O-N 2.9Å; Q105-V108 WeakPolarHBondContact CA-O 3.49Å; V108-D112 HydrophobicContact CB-CB 4.06Å; V108-L113 HydrophobicContact CG2-CD2 3.38Å; V108-L113 HydrophobicContact CG2-CG 3.95Å; V108-M116 HydrophobicContact CG1-SD 4.49Å; V108-I121 HydrophobicContact CG2-CG1 4.35Å; V108-I121 HydrophobicContact CG2-CG2 3.88Å; V108-I124 HydrophobicContact CG1-CD1 3.82Å; V108-I124 HydrophobicContact CG1-CG2 4.15Å
109	S	96.1	Very high	96	Very high	55 Å²	55	56.3 Å²	56.3	39%	0.385	29%	0.29	S	S	.	.			trans	-73.5	159.8	178.1	75.1	0	0	0	0	111.7	S111 D112 L113	S109-S111 PolarHBondContact O-N 2.84Å; S109-S111 VanDerWaalsContact O-N 3.1Å; S109-S111 PolarHBondContact OG-N 2.69Å; S109-D112 WeakPolarHBondContact CB-OD2 3.31Å; S109-D112 PolarHBondContact N-OD2 2.83Å; S109-D112 WeakPolarHBondContact O-CB 3.43Å; S109-D112 PolarHBondContact O-N 3.29Å; S109-D112 PolarHBondContact OG-N 2.74Å; S109-D112 PolarHBondContact OG-OD2 2.89Å; S109-L113 PolarHBondContact O-N 2.68Å; S109-L113 VanDerWaalsContact O-N 3.12Å
110	K	92.9	Very high	96.1	Very high	150 Å²	150	47.9 Å²	47.9	65%	0.652	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.1	172.9	-69.1	-174.3	-179	179.6	0	113.7
111	S	91.3	Very high	96.2	Very high	88 Å²	88	47.7 Å²	47.7	62%	0.615	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-44.8	176.1	-171.1	0	0	0	0	110.9	S109 L113 K114	S109-S111 PolarHBondContact O-N 2.84Å; S109-S111 VanDerWaalsContact O-N 3.1Å; S109-S111 PolarHBondContact OG-N 2.69Å; S111-L113 VanDerWaalsContact C-N 3.31Å; S111-L113 PolarHBondContact O-N 2.8Å; S111-K114 PolarHBondContact O-N 3.18Å
112	D	94.4	Very high	96.3	Very high	44 Å²	44	45 Å²	45	24%	0.235	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-35.8	179.9	-62.7	-30.5	0	0	0	112.3	V108 S109 K114 S115 M116 R196	V108-D112 HydrophobicContact CB-CB 4.06Å; S109-D112 WeakPolarHBondContact CB-OD2 3.31Å; S109-D112 PolarHBondContact N-OD2 2.83Å; S109-D112 WeakPolarHBondContact O-CB 3.43Å; S109-D112 PolarHBondContact O-N 3.29Å; S109-D112 PolarHBondContact OG-N 2.74Å; S109-D112 PolarHBondContact OG-OD2 2.89Å; D112-K114 PolarHBondContact O-N 3.3Å; D112-S115 PolarHBondContact O-N 2.95Å; D112-S115 PolarHBondContact O-OG 3.28Å; D112-M116 HydrophobicContact CB-CE 3.92Å; D112-M116 HydrophobicContact CB-SD 4.37Å; D112-M116 WeakPolarHBondContact O-CG 3.37Å; D112-M116 PolarHBondContact O-N 2.83Å; D112-R196 IonicContact OD2-NH1 3.76Å
113	L	91.8	Very high	96.3	Very high	42 Å²	42	44.8 Å²	44.8	22%	0.22	23%	0.234	C	C	.	.	H	α-helix	trans	-54.2	-30.8	175.9	-70.6	178.6	0	0	0	113.4	E104 V108 S109 S111 I121	E104-L113 HydrophobicContact CB-CD2 3.83Å; E104-L113 HydrophobicContact CG-CD2 4.42Å; E104-L113 VanDerWaalsContact OE2-CD2 3.29Å; E104-L113 WeakPolarHBondContact OE2-CD2 3.35Å; V108-L113 HydrophobicContact CG2-CD2 3.38Å; V108-L113 HydrophobicContact CG2-CG 3.95Å; S109-L113 PolarHBondContact O-N 2.68Å; S109-L113 VanDerWaalsContact O-N 3.12Å; S111-L113 VanDerWaalsContact C-N 3.31Å; S111-L113 PolarHBondContact O-N 2.8Å; L113-I121 HydrophobicContact CD2-CD1 3.5Å; L113-I121 VanDerWaalsContact CD2-CD1 3.5Å; L113-I121 HydrophobicContact CD2-CG1 4.2Å; L113-I121 HydrophobicContact CD2-CG2 4.42Å
114	K	91.3	Very high	96.3	Very high	162 Å²	162	42.9 Å²	42.9	70%	0.704	22%	0.224	S	C	*	.	H	α-helix	trans	-77.6	-29.9	-179.7	-63	179.3	-177.9	177.6	0	111.9	S111 D112 K183	S111-K114 PolarHBondContact O-N 3.18Å; D112-K114 PolarHBondContact O-N 3.3Å; K114-K183 PolarHBondContact O-NZ 2.86Å
115	S	94.8	Very high	96.4	Very high	19 Å²	19	40.7 Å²	40.7	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-95.5	-12.8	-176	61	0	0	0	0	114	D112 K183	D112-S115 PolarHBondContact O-N 2.95Å; D112-S115 PolarHBondContact O-OG 3.28Å; S115-K183 WeakPolarHBondContact O-CB 3.33Å
116	M	97.2	Very high	96.5	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.044	19%	0.19	C	C	.	.	S	Bend	trans	-113.8	151.2	-178	-57.7	-176	-168.6	0	0	112.3	V108 D112 T120 I121 I124 K183 Q192	V108-M116 HydrophobicContact CG1-SD 4.49Å; D112-M116 HydrophobicContact CB-CE 3.92Å; D112-M116 HydrophobicContact CB-SD 4.37Å; D112-M116 WeakPolarHBondContact O-CG 3.37Å; D112-M116 PolarHBondContact O-N 2.83Å; M116-T120 HydrophobicContact CB-CG2 4.1Å; M116-T120 HydrophobicContact CG-CG2 4.31Å; M116-T120 HydrophobicContact SD-CG2 4.16Å; M116-I121 HydrophobicContact CB-CD1 4.43Å; M116-I121 HydrophobicContact CB-CG1 4.04Å; M116-I124 HydrophobicContact SD-CD1 3.59Å; M116-I124 VanDerWaalsContact SD-CD1 3.59Å; M116-K183 WeakPolarHBondContact O-CE 3.46Å; M116-Q192 HydrophobicContact CE-CG 4.03Å; M116-Q192 HydrophobicContact CG-CG 4.5Å; M116-Q192 HydrophobicContact SD-CG 4.03Å
117	S	97.9	Very high	96.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.014	16%	0.162	C	C	.	.			trans	-82.8	158.4	173.8	61.3	0	0	0	0	111.5	T120 I121 K183	S117-T120 WeakPolarHBondContact O-CB 3.41Å; S117-T120 PolarHBondContact O-N 2.85Å; S117-T120 VanDerWaalsContact O-N 3.11Å; S117-T120 PolarHBondContact OG-OG1 3.14Å; S117-T120 VanDerWaalsContact OG-OG1 3.12Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.86Å; S117-K183 VanDerWaalsContact CB-O 3.31Å; S117-K183 WeakPolarHBondContact CB-O 3.39Å; S117-K183 PolarHBondContact OG-O 3.37Å
118	S	98.3	Very high	96.7	Very high	33 Å²	33	32.5 Å²	32.5	23%	0.231	17%	0.172	C	C	.	.	H	α-helix	trans	-49.6	-50.9	175.4	-175	0	0	0	0	113.6	R95 T120 I121 M122 S239	R95-S118 PolarHBondContact NH2-OG 3.16Å; S118-T120 VanDerWaalsContact C-N 3.3Å; S118-T120 PolarHBondContact O-N 2.84Å; S118-I121 PolarHBondContact O-N 2.94Å; S118-I121 VanDerWaalsContact O-N 3.11Å; S118-M122 PolarHBondContact O-N 3.24Å; S118-S239 WeakPolarHBondContact CB-OG 3.3Å; S118-S239 WeakPolarHBondContact OG-CB 3.38Å; S118-S239 PolarHBondContact OG-OG 2.97Å
119	P	98.5	Very high	96.8	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-34.6	178.6	23.4	-33.7	0	0	0	112.9	M122 A123 M153 T237	P119-M122 PolarHBondContact O-N 2.85Å; P119-A123 WeakPolarHBondContact O-CB 3.21Å; P119-A123 PolarHBondContact O-N 2.9Å; P119-M153 HydrophobicContact CB-CE 3.87Å; P119-M153 HydrophobicContact CB-CG 4.45Å; P119-M153 HydrophobicContact CB-SD 4.06Å; P119-M153 HydrophobicContact CG-CE 3.78Å; P119-M153 HydrophobicContact CG-SD 3.65Å; P119-T237 VanDerWaalsContact C-OG1 3.29Å; P119-T237 VanDerWaalsContact CA-OG1 3.32Å; P119-T237 WeakPolarHBondContact CA-OG1 3.45Å; P119-T237 HydrophobicContact CB-CG2 3.99Å; P119-T237 WeakPolarHBondContact CB-OG1 3.36Å; P119-T237 WeakPolarHBondContact O-CB 3.25Å; P119-T237 WeakPolarHBondContact O-CG2 3.2Å; P119-T237 PolarHBondContact O-OG1 3.38Å
120	T	98.8	Very high	96.9	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-41.3	174.2	-66.5	0	0	0	0	111.5	M116 S117 S118 A123 I124 Q192	M116-T120 HydrophobicContact CB-CG2 4.1Å; M116-T120 HydrophobicContact CG-CG2 4.31Å; M116-T120 HydrophobicContact SD-CG2 4.16Å; S117-T120 WeakPolarHBondContact O-CB 3.41Å; S117-T120 PolarHBondContact O-N 2.85Å; S117-T120 VanDerWaalsContact O-N 3.11Å; S117-T120 PolarHBondContact OG-OG1 3.14Å; S117-T120 VanDerWaalsContact OG-OG1 3.12Å; S118-T120 VanDerWaalsContact C-N 3.3Å; S118-T120 PolarHBondContact O-N 2.84Å; T120-A123 PolarHBondContact O-N 2.71Å; T120-I124 HydrophobicContact CG2-CD1 4.19Å; T120-I124 WeakPolarHBondContact O-CG1 3.5Å; T120-I124 PolarHBondContact O-N 3.29Å; T120-Q192 HydrophobicContact CG2-CB 3.97Å; T120-Q192 HydrophobicContact CG2-CG 3.72Å
121	I	98.7	Very high	97.2	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-42.7	177.8	-63.1	156.7	0	0	0	110.8	F102 E104 V108 L113 M116 S117 S118 A123 I124 G125	F102-I121 HydrophobicContact CE1-CG2 4.18Å; F102-I121 HydrophobicContact CZ-CG2 4.02Å; E104-I121 HydrophobicContact CB-CG2 4.01Å; E104-I121 HydrophobicContact CG-CG2 3.91Å; V108-I121 HydrophobicContact CG2-CG1 4.35Å; V108-I121 HydrophobicContact CG2-CG2 3.88Å; L113-I121 HydrophobicContact CD2-CD1 3.5Å; L113-I121 VanDerWaalsContact CD2-CD1 3.5Å; L113-I121 HydrophobicContact CD2-CG1 4.2Å; L113-I121 HydrophobicContact CD2-CG2 4.42Å; M116-I121 HydrophobicContact CB-CD1 4.43Å; M116-I121 HydrophobicContact CB-CG1 4.04Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.86Å; S118-I121 PolarHBondContact O-N 2.94Å; S118-I121 VanDerWaalsContact O-N 3.11Å; I121-A123 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 3.07Å; I121-I124 PolarHBondContact O-N 3.49Å; I121-G125 PolarHBondContact O-N 3.45Å
122	M	98.9	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-40.2	174.3	-67	-175.5	-178.6	0	0	112.1	V53 V93 R95 F102 S118 P119 I124 G125 A126 E279 A281	V53-M122 HydrophobicContact CG1-CB 4.33Å; V53-M122 HydrophobicContact CG1-CG 4.18Å; V53-M122 HydrophobicContact CG1-SD 4.48Å; V93-M122 HydrophobicContact CB-CE 4.22Å; V93-M122 HydrophobicContact CG2-CE 3.97Å; V93-M122 HydrophobicContact CG2-SD 4.19Å; R95-M122 VanDerWaalsContact NH2-CE 3.28Å; F102-M122 HydrophobicContact CE1-CG 3.93Å; F102-M122 HydrophobicContact CZ-CG 4.09Å; S118-M122 PolarHBondContact O-N 3.24Å; P119-M122 PolarHBondContact O-N 2.85Å; M122-I124 PolarHBondContact O-N 2.83Å; M122-G125 PolarHBondContact O-N 2.96Å; M122-A126 WeakPolarHBondContact O-CB 3.48Å; M122-A126 PolarHBondContact O-N 3.42Å; M122-E279 HydrophobicContact CE-CG 4.27Å; M122-A281 HydrophobicContact CB-CB 3.8Å; M122-A281 WeakPolarHBondContact O-CB 3.5Å
123	A	98.9	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.8	-40.6	176.3	0	0	0	0	0	112.4	P119 T120 I121 A126 A127 I151 A189 T237	P119-A123 WeakPolarHBondContact O-CB 3.21Å; P119-A123 PolarHBondContact O-N 2.9Å; T120-A123 PolarHBondContact O-N 2.71Å; I121-A123 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 3.07Å; A123-A126 PolarHBondContact O-N 3.26Å; A123-A127 VanDerWaalsContact O-CB 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.36Å; A123-A127 PolarHBondContact O-N 3.35Å; A123-I151 HydrophobicContact CB-CG2 4.22Å; A123-A189 HydrophobicContact CB-CB 3.87Å; A123-T237 HydrophobicContact CB-CG2 3.86Å
124	I	98.9	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-48.6	173.4	-67.4	162.6	0	0	0	110	F107 V108 M116 T120 I121 M122 A126 A127 E128 Q192 V193 Y197	F107-I124 HydrophobicContact CB-CG2 4.31Å; V108-I124 HydrophobicContact CG1-CD1 3.82Å; V108-I124 HydrophobicContact CG1-CG2 4.15Å; M116-I124 HydrophobicContact SD-CD1 3.59Å; M116-I124 VanDerWaalsContact SD-CD1 3.59Å; T120-I124 HydrophobicContact CG2-CD1 4.19Å; T120-I124 WeakPolarHBondContact O-CG1 3.5Å; T120-I124 PolarHBondContact O-N 3.29Å; I121-I124 PolarHBondContact O-N 3.49Å; M122-I124 PolarHBondContact O-N 2.83Å; I124-A126 PolarHBondContact O-N 3.41Å; I124-A127 PolarHBondContact O-N 2.93Å; I124-E128 PolarHBondContact O-N 3.39Å; I124-Q192 HydrophobicContact CD1-CB 3.99Å; I124-Q192 HydrophobicContact CG1-CB 4.34Å; I124-V193 HydrophobicContact CG1-CG2 4.14Å; I124-Y197 PolarHBondContact O-OH 3.25Å
125	G	98.8	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.8	-45.9	178.3	0	0	0	0	0	112.9	I121 M122 E128 L129	I121-G125 PolarHBondContact O-N 3.45Å; M122-G125 PolarHBondContact O-N 2.96Å; G125-E128 PolarHBondContact O-N 3.03Å; G125-L129 VanDerWaalsContact O-CG 3.25Å; G125-L129 WeakPolarHBondContact O-CG 3.34Å; G125-L129 PolarHBondContact O-N 3.05Å; G125-L129 VanDerWaalsContact O-N 3.11Å
126	A	98.9	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-41.3	176.6	0	0	0	0	0	112.3	G51 V53 M122 A123 I124 L129 A130 A281 V283	G51-A126 WeakPolarHBondContact CA-O 3.36Å; V53-A126 HydrophobicContact CG2-CB 4.12Å; M122-A126 WeakPolarHBondContact O-CB 3.48Å; M122-A126 PolarHBondContact O-N 3.42Å; A123-A126 PolarHBondContact O-N 3.26Å; I124-A126 PolarHBondContact O-N 3.41Å; A126-L129 PolarHBondContact O-N 2.94Å; A126-A130 WeakPolarHBondContact O-CB 3.38Å; A126-A130 PolarHBondContact O-N 3.39Å; A126-A281 HydrophobicContact CB-CB 3.82Å; A126-V283 HydrophobicContact CB-CB 4.15Å; A126-V283 HydrophobicContact CB-CG2 3.73Å
127	A	98.9	Very high	98.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.6	-40.2	176.6	0	0	0	0	0	112.2	A123 I124 L129 A130 L131 V193 Y197 V233 V283	A123-A127 VanDerWaalsContact O-CB 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.36Å; A123-A127 PolarHBondContact O-N 3.35Å; I124-A127 PolarHBondContact O-N 2.93Å; A127-L129 PolarHBondContact O-N 3.4Å; A127-A130 PolarHBondContact O-N 3.44Å; A127-L131 WeakPolarHBondContact O-CB 3.21Å; A127-L131 WeakPolarHBondContact O-CG 3.26Å; A127-L131 PolarHBondContact O-N 3.17Å; A127-V193 HydrophobicContact CB-CB 4.47Å; A127-V193 HydrophobicContact CB-CG1 3.74Å; A127-V193 HydrophobicContact CB-CG2 3.81Å; A127-Y197 HydrophobicContact CB-CE2 4.21Å; A127-V233 HydrophobicContact CB-CG1 4.02Å; A127-V283 HydrophobicContact CB-CG1 4.26Å; A127-V283 HydrophobicContact CB-CG2 4.36Å
128	E	98.9	Very high	98.7	Very high	64 Å²	64	25.4 Å²	25.4	30%	0.299	14%	0.136	S	C	.	.	H	α-helix	trans	-60	-46.9	175.1	-163.8	156.8	117.1	0	0	111.8	F107 I124 G125 A130 K132 Y197	F107-E128 HydrophobicContact CD1-CB 4.19Å; F107-E128 HydrophobicContact CE1-CB 4.34Å; I124-E128 PolarHBondContact O-N 3.39Å; G125-E128 PolarHBondContact O-N 3.03Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 2.86Å; E128-K132 VanDerWaalsContact O-CB 3.22Å; E128-K132 WeakPolarHBondContact O-CB 3.26Å; E128-K132 PolarHBondContact O-N 3.25Å; E128-Y197 VanDerWaalsContact CB-OH 3.26Å; E128-Y197 WeakPolarHBondContact CB-OH 3.31Å; E128-Y197 HydrophobicContact CG-CE1 4.34Å; E128-Y197 PolarHBondContact OE2-OH 3.03Å
129	L	98.9	Very high	98.7	Very high	41 Å²	41	30.5 Å²	30.5	22%	0.215	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-43.5	177.4	-67.7	170.1	0	0	0	111	V53 V58 G125 A126 A127 D133	V53-L129 HydrophobicContact CG2-CD1 4.33Å; V58-L129 HydrophobicContact CG1-CD1 3.68Å; G125-L129 VanDerWaalsContact O-CG 3.25Å; G125-L129 WeakPolarHBondContact O-CG 3.34Å; G125-L129 PolarHBondContact O-N 3.05Å; G125-L129 VanDerWaalsContact O-N 3.11Å; A126-L129 PolarHBondContact O-N 2.94Å; A127-L129 PolarHBondContact O-N 3.4Å; L129-D133 WeakPolarHBondContact O-CB 3.42Å; L129-D133 PolarHBondContact O-N 3.44Å
130	A	98.9	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.8	-44.2	-179.9	0	0	0	0	0	112.7	A126 A127 E128 D133 S134 V283 V285	A126-A130 WeakPolarHBondContact O-CB 3.38Å; A126-A130 PolarHBondContact O-N 3.39Å; A127-A130 PolarHBondContact O-N 3.44Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 2.86Å; A130-D133 PolarHBondContact O-N 3.4Å; A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 2.67Å; A130-V283 HydrophobicContact CB-CB 4.15Å; A130-V283 HydrophobicContact CB-CG1 3.9Å; A130-V283 WeakPolarHBondContact CB-O 3.24Å; A130-V285 HydrophobicContact CB-CG2 3.99Å; A130-V285 WeakPolarHBondContact O-CG2 3.15Å
131	L	98.9	Very high	98.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-42.4	177.1	-74.9	166.2	0	0	0	111.3	A127 S134 G135 W136 Y197 V233 V285	A127-L131 WeakPolarHBondContact O-CB 3.21Å; A127-L131 WeakPolarHBondContact O-CG 3.26Å; A127-L131 PolarHBondContact O-N 3.17Å; L131-S134 PolarHBondContact O-N 2.93Å; L131-G135 PolarHBondContact O-N 2.94Å; L131-W136 HydrophobicContact CD2-CB 4.46Å; L131-W136 WeakPolarHBondContact CD2-O 3.14Å; L131-W136 PolarHBondContact O-N 2.89Å; L131-W136 VanDerWaalsContact O-N 3.11Å; L131-Y197 HydrophobicContact CD1-CD1 3.88Å; L131-Y197 HydrophobicContact CD1-CD2 3.77Å; L131-Y197 HydrophobicContact CD1-CE1 4.38Å; L131-Y197 HydrophobicContact CD1-CE2 4.29Å; L131-Y197 HydrophobicContact CD1-CG 3.57Å; L131-V233 HydrophobicContact CD1-CG2 4.48Å; L131-V233 HydrophobicContact CD2-CG2 3.76Å; L131-V233 HydrophobicContact CG-CG2 4.24Å; L131-V285 HydrophobicContact CD2-CG2 4.29Å
132	K	98.9	Very high	98.7	Very high	157 Å²	157	40.6 Å²	40.6	68%	0.683	22%	0.22	S	C	*	.	H	α-helix	trans	-62	-44	174.8	-176.8	177.9	-179.7	179.7	0	111.6	E128 G135	E128-K132 VanDerWaalsContact O-CB 3.22Å; E128-K132 WeakPolarHBondContact O-CB 3.26Å; E128-K132 PolarHBondContact O-N 3.25Å; K132-G135 PolarHBondContact O-N 2.96Å
133	D	98.9	Very high	98.7	Very high	38 Å²	38	43.1 Å²	43.1	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-35.5	178.5	-176.9	51.8	0	0	0	112.3	G49 I50 L129 A130 G135 R298 Y300	G49-D133 VanDerWaalsContact CA-OD2 3.31Å; G49-D133 WeakPolarHBondContact CA-OD2 3.24Å; I50-D133 PolarHBondContact N-OD2 3.02Å; L129-D133 WeakPolarHBondContact O-CB 3.42Å; L129-D133 PolarHBondContact O-N 3.44Å; A130-D133 PolarHBondContact O-N 3.4Å; D133-G135 VanDerWaalsContact C-N 3.32Å; D133-R298 PolarHBondContact O-NH2 3.46Å; D133-R298 IonicContact OD1-CZ 3.85Å; D133-R298 VanDerWaalsContact OD1-CZ 3.28Å; D133-R298 IonicContact OD1-NH1 3.33Å; D133-R298 PolarHBondContact OD1-NH1 2.96Å; D133-R298 IonicContact OD1-NH2 3.52Å; D133-R298 PolarHBondContact OD1-NH2 3.12Å; D133-R298 IonicContact OD2-CZ 2.67Å; D133-R298 IonicContact OD2-NH1 3.4Å; D133-R298 IonicContact OD2-NH2 2.67Å; D133-R298 PolarHBondContact OD2-NH2 3.48Å; D133-Y300 PolarHBondContact OD1-OH 3.28Å; D133-Y300 WeakPolarHBondContact OD2-CE2 3.28Å; D133-Y300 PolarHBondContact OD2-OH 3.46Å; D133-Y300 VanDerWaalsContact OD2-OH 3.11Å
134	S	98.9	Very high	98.7	Very high	8 Å²	8	43.9 Å²	43.9	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-22.2	172.7	-175.7	0	0	0	0	113.7	T48 A130 L131 W136 R295	T48-S134 WeakPolarHBondContact O-CA 3.5Å; T48-S134 PolarHBondContact OG1-OG 3.5Å; A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 2.67Å; L131-S134 PolarHBondContact O-N 2.93Å; S134-W136 PolarHBondContact O-N 3.31Å; S134-R295 PolarHBondContact O-NH1 3.07Å; S134-R295 PolarHBondContact O-NH2 3.39Å; S134-R295 PolarHBondContact OG-NH2 3.46Å
135	G	98.8	Very high	98.7	Very high	48 Å²	48	47.2 Å²	47.2	50%	0.495	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	27.8	-168.1	0	0	0	0	0	113	L131 K132 D133	L131-G135 PolarHBondContact O-N 2.94Å; K132-G135 PolarHBondContact O-N 2.96Å; D133-G135 VanDerWaalsContact C-N 3.32Å
136	W	98.8	Very high	98.7	Very high	22 Å²	22	48.1 Å²	48.1	8%	0.083	27%	0.265	C	S	.	.			trans	-106.1	113.6	-179.5	-173.5	-111.3	0	0	0	110.7	L131 S134 P138 D143 T147 V231 H291	L131-W136 HydrophobicContact CD2-CB 4.46Å; L131-W136 WeakPolarHBondContact CD2-O 3.14Å; L131-W136 PolarHBondContact O-N 2.89Å; L131-W136 VanDerWaalsContact O-N 3.11Å; S134-W136 PolarHBondContact O-N 3.31Å; W136-P138 HydrophobicContact CZ2-CB 4.36Å; W136-D143 HydrophobicContact CH2-CB 3.98Å; W136-D143 HydrophobicContact CZ2-CB 3.8Å; W136-T147 PolarHBondContact NE1-OG1 3.47Å; W136-V231 HydrophobicContact CD2-CG2 4.27Å; W136-V231 HydrophobicContact CG-CG1 4.37Å; W136-V231 HydrophobicContact CZ2-CG2 3.82Å; W136-H291 AromaticContact CH2-CE1 3.3Å; W136-H291 WeakPolarHBondContact CH2-CE1 3.43Å; W136-H291 AromaticContact CH2-NE2 3.45Å; W136-H291 WeakPolarHBondContact CH2-NE2 3.46Å; W136-H291 AromaticContact CZ2-CE1 3.95Å; W136-H291 AromaticContact CZ3-CE1 3.41Å; W136-H291 VanDerWaalsContact CZ3-CE1 3.41Å; W136-H291 WeakPolarHBondContact CZ3-CE1 3.48Å; W136-H291 AromaticContact CZ3-NE2 3.89Å
137	H	98.4	Very high	98.7	Very high	104 Å²	104	48.1 Å²	48.1	48%	0.481	27%	0.265	S	S	.	.			trans	-139	77.4	-178.9	-61	-52.8	0	0	0	109.6	Q139	H137-Q139 WeakPolarHBondContact O-CG 3.25Å; H137-Q139 PolarHBondContact O-N 2.81Å; H137-Q139 VanDerWaalsContact O-N 3.16Å; H137-Q139 PolarHBondContact O-NE2 2.61Å
138	P	97.8	Very high	98.7	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.039	27%	0.265	C	S	.	.			trans	-59.1	119.7	-168.9	24.3	-33.9	0	0	0	111.6	W136 D143 Q144 L199	W136-P138 HydrophobicContact CZ2-CB 4.36Å; P138-D143 HydrophobicContact CB-CB 3.52Å; P138-Q144 HydrophobicContact CB-CG 4.14Å; P138-L199 HydrophobicContact CG-CD2 3.51Å
139	Q	97.7	Very high	98.7	Very high	141 Å²	141	45.1 Å²	45.1	66%	0.659	25%	0.251	S	S	*	.			trans	-106.2	-38.3	179	-61.7	-51.8	-60.4	0	0	112	H137 Q144	H137-Q139 WeakPolarHBondContact O-CG 3.25Å; H137-Q139 PolarHBondContact O-N 2.81Å; H137-Q139 VanDerWaalsContact O-N 3.16Å; H137-Q139 PolarHBondContact O-NE2 2.61Å; Q139-Q144 PolarHBondContact O-NE2 3.11Å; Q139-Q144 VanDerWaalsContact O-NE2 3.13Å
140	S	98.6	Very high	98.7	Very high	50 Å²	50	43.2 Å²	43.2	35%	0.35	24%	0.241	S	C	.	.	S	Bend	trans	-76.4	154.2	179.3	80.3	0	0	0	0	110.9	A142 D143 Q144	S140-A142 PolarHBondContact O-N 3.13Å; S140-D143 PolarHBondContact O-N 2.79Å; S140-D143 PolarHBondContact OG-N 3.22Å; S140-D143 VanDerWaalsContact OG-N 3.11Å; S140-D143 PolarHBondContact OG-OD2 3.14Å; S140-Q144 VanDerWaalsContact O-CG 3.26Å; S140-Q144 WeakPolarHBondContact O-CG 3.39Å; S140-Q144 PolarHBondContact O-N 2.92Å
141	E	98.6	Very high	98.7	Very high	104 Å²	104	43.2 Å²	43.2	49%	0.486	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-38.3	175.1	-172.9	64	-170.4	0	0	111.5	Q144 V145 K200	E141-Q144 PolarHBondContact O-N 2.82Å; E141-V145 HydrophobicContact CG-CG1 4.37Å; E141-V145 WeakPolarHBondContact O-CG1 3.41Å; E141-V145 WeakPolarHBondContact O-CG2 3.33Å; E141-V145 PolarHBondContact O-N 3.08Å; E141-K200 WeakPolarHBondContact OE1-CD 3.48Å; E141-K200 IonicContact OE1-NZ 2.75Å; E141-K200 PolarHBondContact OE1-NZ 3.29Å; E141-K200 IonicContact OE2-NZ 3.56Å; E141-K200 PolarHBondContact OE2-NZ 3.17Å
142	A	98.6	Very high	98.7	Very high	67 Å²	67	43.1 Å²	43.1	55%	0.554	24%	0.24	S	C	*	.	H	α-helix	trans	-59	-49.6	178.5	0	0	0	0	0	111.4	S140 Q144 V145 A146	S140-A142 PolarHBondContact O-N 3.13Å; A142-Q144 VanDerWaalsContact C-N 3.31Å; A142-Q144 PolarHBondContact O-N 3.39Å; A142-V145 VanDerWaalsContact O-CG2 3.3Å; A142-V145 WeakPolarHBondContact O-CG2 3.36Å; A142-V145 PolarHBondContact O-N 3.04Å; A142-A146 VanDerWaalsContact O-CB 3.24Å; A142-A146 WeakPolarHBondContact O-CB 3.29Å; A142-A146 PolarHBondContact O-N 3.17Å
143	D	98.7	Very high	98.7	Very high	54 Å²	54	35.7 Å²	35.7	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-66.1	-36.7	178.6	-54.9	-38	0	0	0	111.5	W136 P138 S140 A146 T147	W136-D143 HydrophobicContact CH2-CB 3.98Å; W136-D143 HydrophobicContact CZ2-CB 3.8Å; P138-D143 HydrophobicContact CB-CB 3.52Å; S140-D143 PolarHBondContact O-N 2.79Å; S140-D143 PolarHBondContact OG-N 3.22Å; S140-D143 VanDerWaalsContact OG-N 3.11Å; S140-D143 PolarHBondContact OG-OD2 3.14Å; D143-A146 PolarHBondContact O-N 3.44Å; D143-T147 WeakPolarHBondContact O-CB 3.21Å; D143-T147 PolarHBondContact O-N 3.15Å; D143-T147 VanDerWaalsContact O-N 3.07Å; D143-T147 PolarHBondContact O-OG1 3.4Å
144	Q	98.8	Very high	98.6	Very high	15 Å²	15	34.8 Å²	34.8	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-46.4	178.2	-72.7	177.3	25.9	0	0	111.4	P138 Q139 S140 E141 A142 A146 T147 K198 K200 G201	P138-Q144 HydrophobicContact CB-CG 4.14Å; Q139-Q144 PolarHBondContact O-NE2 3.11Å; Q139-Q144 VanDerWaalsContact O-NE2 3.13Å; S140-Q144 VanDerWaalsContact O-CG 3.26Å; S140-Q144 WeakPolarHBondContact O-CG 3.39Å; S140-Q144 PolarHBondContact O-N 2.92Å; E141-Q144 PolarHBondContact O-N 2.82Å; A142-Q144 VanDerWaalsContact C-N 3.31Å; A142-Q144 PolarHBondContact O-N 3.39Å; Q144-A146 VanDerWaalsContact C-N 3.34Å; Q144-T147 PolarHBondContact O-N 3.04Å; Q144-T147 VanDerWaalsContact O-O 3.09Å; Q144-K198 VanDerWaalsContact CB-O 3.26Å; Q144-K198 WeakPolarHBondContact CB-O 3.31Å; Q144-K198 HydrophobicContact CG-CB 4.16Å; Q144-K198 WeakPolarHBondContact CG-O 3.42Å; Q144-K200 HydrophobicContact CB-CB 4.4Å; Q144-K200 HydrophobicContact CB-CD 4.03Å; Q144-K200 HydrophobicContact CB-CG 4.24Å; Q144-K200 WeakPolarHBondContact O-CA 3.45Å; Q144-K200 PolarHBondContact O-N 3.38Å; Q144-G201 PolarHBondContact O-N 3.04Å
145	V	98.8	Very high	98.6	Very high	71 Å²	71	36.8 Å²	36.8	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-73.9	-26.8	178.7	-58.4	0	0	0	0	112.7	E141 A142 T147 K200 G201	E141-V145 HydrophobicContact CG-CG1 4.37Å; E141-V145 WeakPolarHBondContact O-CG1 3.41Å; E141-V145 WeakPolarHBondContact O-CG2 3.33Å; E141-V145 PolarHBondContact O-N 3.08Å; A142-V145 VanDerWaalsContact O-CG2 3.3Å; A142-V145 WeakPolarHBondContact O-CG2 3.36Å; A142-V145 PolarHBondContact O-N 3.04Å; V145-T147 VanDerWaalsContact C-N 3.25Å; V145-T147 PolarHBondContact O-N 3.03Å; V145-K200 HydrophobicContact CG1-CB 4.03Å; V145-K200 HydrophobicContact CG1-CD 4.32Å; V145-G201 WeakPolarHBondContact O-CA 3.39Å
146	A	98.7	Very high	98.6	Very high	19 Å²	19	37.6 Å²	37.6	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-76.2	-12.5	173.2	0	0	0	0	0	113.1	A142 D143 Q144 D230 V231	A142-A146 VanDerWaalsContact O-CB 3.24Å; A142-A146 WeakPolarHBondContact O-CB 3.29Å; A142-A146 PolarHBondContact O-N 3.17Å; D143-A146 PolarHBondContact O-N 3.44Å; Q144-A146 VanDerWaalsContact C-N 3.34Å; A146-D230 HydrophobicContact CB-CB 4.23Å; A146-D230 PolarHBondContact O-N 2.82Å; A146-V231 PolarHBondContact O-N 2.92Å; A146-V231 VanDerWaalsContact O-N 3.14Å
147	T	98.9	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.6	-179.4	-51.1	0	0	0	0	112.1	W136 D143 Q144 V145 L199 K200 G201 V231 V233	W136-T147 PolarHBondContact NE1-OG1 3.47Å; D143-T147 WeakPolarHBondContact O-CB 3.21Å; D143-T147 PolarHBondContact O-N 3.15Å; D143-T147 VanDerWaalsContact O-N 3.07Å; D143-T147 PolarHBondContact O-OG1 3.4Å; Q144-T147 PolarHBondContact O-N 3.04Å; Q144-T147 VanDerWaalsContact O-O 3.09Å; V145-T147 VanDerWaalsContact C-N 3.25Å; V145-T147 PolarHBondContact O-N 3.03Å; T147-L199 HydrophobicContact CG2-CB 4.35Å; T147-L199 HydrophobicContact CG2-CD1 4.31Å; T147-L199 HydrophobicContact CG2-CD2 3.7Å; T147-L199 HydrophobicContact CG2-CG 4.32Å; T147-L199 CarbonylContact O-C 3.56Å; T147-K200 PolarHBondContact O-N 3.43Å; T147-G201 WeakPolarHBondContact O-CA 3.45Å; T147-G201 PolarHBondContact O-N 3.49Å; T147-V231 CarbonylContact C-O 3.55Å; T147-V231 VanDerWaalsContact CA-O 3.29Å; T147-V231 WeakPolarHBondContact CA-O 3.43Å; T147-V231 HydrophobicContact CG2-CB 3.9Å; T147-V231 HydrophobicContact CG2-CG1 4.02Å; T147-V233 HydrophobicContact CG2-CG2 4.49Å
148	G	98.9	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	179.6	174.3	0	0	0	0	0	114.3	P202 V231 M232 V233	G148-P202 CarbonylContact C-O 2.82Å; G148-P202 WeakPolarHBondContact CA-O 3.27Å; G148-V231 PolarHBondContact N-O 3.25Å; G148-M232 VanDerWaalsContact CA-SD 3.5Å; G148-V233 PolarHBondContact O-N 3.05Å
149	V	98.9	Very high	98.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.3	177.7	-172.2	0	0	0	0	109.4	I151 A190 V193 L199 P202 H204 V233	V149-I151 HydrophobicContact CG1-CB 4.49Å; V149-I151 HydrophobicContact CG1-CD1 3.8Å; V149-I151 HydrophobicContact CG1-CG1 3.86Å; V149-A190 HydrophobicContact CG1-CB 3.84Å; V149-V193 HydrophobicContact CG1-CB 4.26Å; V149-V193 HydrophobicContact CG1-CG1 3.97Å; V149-V193 HydrophobicContact CG2-CG1 4.18Å; V149-L199 HydrophobicContact CG2-CB 3.73Å; V149-L199 HydrophobicContact CG2-CD1 3.4Å; V149-L199 VanDerWaalsContact CG2-CD1 3.4Å; V149-L199 HydrophobicContact CG2-CG 4.15Å; V149-P202 PolarHBondContact N-O 3Å; V149-P202 VanDerWaalsContact O-O 3.13Å; V149-H204 PolarHBondContact O-N 3.36Å; V149-V233 WeakPolarHBondContact CA-O 3.22Å; V149-V233 HydrophobicContact CG2-CB 4.4Å
150	A	98.9	Very high	98.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	93.9	166.1	0	0	0	0	0	110.2	H204 S220 M232 V233 A234 G235	A150-H204 VanDerWaalsContact CA-O 3.29Å; A150-H204 WeakPolarHBondContact CA-O 3.37Å; A150-H204 HydrophobicContact CB-CB 4.13Å; A150-S220 WeakPolarHBondContact CB-OG 3.33Å; A150-M232 HydrophobicContact CB-CE 3.79Å; A150-V233 PolarHBondContact N-O 3.14Å; A150-A234 CarbonylContact O-C 3.52Å; A150-A234 VanDerWaalsContact O-CA 3.25Å; A150-A234 WeakPolarHBondContact O-CA 3.35Å; A150-G235 PolarHBondContact O-N 2.91Å
151	I	98.9	Very high	98.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.6	179.2	-63.5	171.2	0	0	0	108.7	A123 V149 A189 A190 V193 H204 A205 V233 G235 T237 V283	A123-I151 HydrophobicContact CB-CG2 4.22Å; V149-I151 HydrophobicContact CG1-CB 4.49Å; V149-I151 HydrophobicContact CG1-CD1 3.8Å; V149-I151 HydrophobicContact CG1-CG1 3.86Å; I151-A189 HydrophobicContact CG2-CB 3.89Å; I151-A190 HydrophobicContact CB-CB 4.14Å; I151-V193 HydrophobicContact CD1-CB 4.1Å; I151-V193 HydrophobicContact CD1-CG1 4.05Å; I151-V193 HydrophobicContact CD1-CG2 3.81Å; I151-H204 PolarHBondContact N-O 3.02Å; I151-A205 WeakPolarHBondContact O-CB 3.32Å; I151-V233 HydrophobicContact CD1-CG1 4.39Å; I151-G235 WeakPolarHBondContact CA-O 3.48Å; I151-T237 HydrophobicContact CG2-CG2 4.25Å; I151-V283 HydrophobicContact CD1-CG2 4.11Å
152	G	98.8	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	161.6	177.6	0	0	0	0	0	113.7	V206 T212 G235 G236 T237	G152-V206 WeakPolarHBondContact CA-O 3.23Å; G152-T212 VanDerWaalsContact CA-CG2 3.42Å; G152-G235 PolarHBondContact N-O 2.77Å; G152-G236 WeakPolarHBondContact O-CA 3.31Å; G152-T237 PolarHBondContact O-N 2.91Å
153	M	98.8	Very high	98.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.2	172.7	-171.9	-177.7	-53.8	0	0	108.6	P119 M155 I186 A189 V206 S207 T237	P119-M153 HydrophobicContact CB-CE 3.87Å; P119-M153 HydrophobicContact CB-CG 4.45Å; P119-M153 HydrophobicContact CB-SD 4.06Å; P119-M153 HydrophobicContact CG-CE 3.78Å; P119-M153 HydrophobicContact CG-SD 3.65Å; M153-M155 WeakPolarHBondContact CG-O 3.37Å; M153-M155 VanDerWaalsContact SD-O 3.39Å; M153-I186 HydrophobicContact CB-CB 4.28Å; M153-I186 HydrophobicContact CB-CG1 4.36Å; M153-I186 HydrophobicContact CB-CG2 3.72Å; M153-I186 WeakPolarHBondContact O-CG2 3.46Å; M153-A189 HydrophobicContact CE-CB 3.93Å; M153-V206 PolarHBondContact N-O 2.9Å; M153-S207 WeakPolarHBondContact O-CB 3.49Å; M153-S207 PolarHBondContact O-OG 3.47Å; M153-T237 WeakPolarHBondContact CA-O 3.38Å; M153-T237 HydrophobicContact CB-CG2 4.32Å; M153-T237 HydrophobicContact CE-CG2 3.93Å; M153-T237 HydrophobicContact CG-CG2 4.38Å; M153-T237 WeakPolarHBondContact CG-O 3.15Å
154	G	97.9	Very high	98.2	Very high	18 Å²	18	30.3 Å²	30.3	19%	0.186	17%	0.17	C	C	.	.	S	Bend	trans	-77.4	-32.6	-174.6	0	0	0	0	0	112.8	D238	G154-D238 WeakPolarHBondContact CA-OD2 3.5Å; G154-D238 PolarHBondContact N-OD2 2.79Å
155	M	98	Very high	98.2	Very high	50 Å²	50	31.5 Å²	31.5	25%	0.246	18%	0.182	C	C	.	.	S	Bend	trans	-139.8	145.4	-177.3	-163.4	172.7	-63.3	0	0	112.2	M153 L158 D238 F249	M153-M155 WeakPolarHBondContact CG-O 3.37Å; M153-M155 VanDerWaalsContact SD-O 3.39Å; M155-L158 HydrophobicContact SD-CD1 3.75Å; M155-L158 HydrophobicContact SD-CG 4.13Å; M155-D238 PolarHBondContact N-OD1 2.88Å; M155-F249 HydrophobicContact CE-CE2 3.46Å; M155-F249 VanDerWaalsContact CE-CE2 3.46Å; M155-F249 HydrophobicContact CE-CZ 3.6Å
156	I	98.1	Very high	98.1	Very high	65 Å²	65	33 Å²	33	33%	0.333	19%	0.187	S	C	.	.			trans	-63.8	152.3	168.3	55.1	165.9	0	0	0	111	L158 V161 I186	I156-L158 HydrophobicContact CD1-CD2 4.11Å; I156-L158 HydrophobicContact CG1-CD2 3.97Å; I156-L158 PolarHBondContact O-N 2.86Å; I156-V161 HydrophobicContact CD1-CG2 4.19Å; I156-I186 HydrophobicContact CG2-CD1 4.12Å; I156-I186 HydrophobicContact CG2-CG1 4Å
157	P	97.8	Very high	98.1	Very high	11 Å²	11	33.9 Å²	33.9	7%	0.071	19%	0.189	C	C	.	.			trans	-71.2	88.9	176.9	30.4	-36.3	0	0	0	110.8	E159 V160 V161 I184	P157-E159 VanDerWaalsContact C-N 3.27Å; P157-E159 PolarHBondContact O-N 2.8Å; P157-V160 HydrophobicContact CB-CB 4.28Å; P157-V160 HydrophobicContact CB-CG2 3.92Å; P157-V160 HydrophobicContact CG-CB 4.2Å; P157-V160 HydrophobicContact CG-CG2 4.16Å; P157-V160 WeakPolarHBondContact O-CB 3.46Å; P157-V160 PolarHBondContact O-N 3.34Å; P157-V161 PolarHBondContact O-N 3.33Å; P157-I184 HydrophobicContact CG-CB 4.3Å; P157-I184 HydrophobicContact CG-CG2 4.15Å
158	L	97.4	Very high	98.1	Very high	44 Å²	44	38.9 Å²	38.9	23%	0.23	21%	0.212	C	C	.	.	H	α-helix	trans	-54.8	-38.8	-171.6	-68.5	178.9	0	0	0	113.6	M155 I156 V160 V161 S162 L244	M155-L158 HydrophobicContact SD-CD1 3.75Å; M155-L158 HydrophobicContact SD-CG 4.13Å; I156-L158 HydrophobicContact CD1-CD2 4.11Å; I156-L158 HydrophobicContact CG1-CD2 3.97Å; I156-L158 PolarHBondContact O-N 2.86Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-V160 PolarHBondContact O-N 2.84Å; L158-V161 PolarHBondContact O-N 2.85Å; L158-V161 VanDerWaalsContact O-N 3.13Å; L158-S162 PolarHBondContact O-N 3.13Å; L158-S162 PolarHBondContact O-OG 3.42Å; L158-L244 HydrophobicContact CB-CD2 4.44Å
159	E	95.6	Very high	98.1	Very high	85 Å²	85	46 Å²	46	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-36.5	177.8	-64.8	-54.2	130.5	0	0	112.7	P157 V161 S162 E163 S242	P157-E159 VanDerWaalsContact C-N 3.27Å; P157-E159 PolarHBondContact O-N 2.8Å; E159-V161 VanDerWaalsContact C-N 3.28Å; E159-V161 PolarHBondContact O-N 3.08Å; E159-S162 WeakPolarHBondContact CA-OG 3.36Å; E159-S162 PolarHBondContact O-OG 3.06Å; E159-S162 VanDerWaalsContact O-OG 3.14Å; E159-E163 WeakPolarHBondContact O-CB 3.3Å; E159-E163 PolarHBondContact O-N 3.5Å; E159-S242 VanDerWaalsContact CD-CB 3.5Å; E159-S242 VanDerWaalsContact CG-CB 3.48Å; E159-S242 WeakPolarHBondContact OE1-CB 3.28Å; E159-S242 PolarHBondContact OE1-OG 3.05Å
160	V	97.5	Very high	98	Very high	24 Å²	24	50.3 Å²	50.3	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-36.8	176.3	180	0	0	0	0	110.2	P157 L158 T164 F180 K183 I184	P157-V160 HydrophobicContact CB-CB 4.28Å; P157-V160 HydrophobicContact CB-CG2 3.92Å; P157-V160 HydrophobicContact CG-CB 4.2Å; P157-V160 HydrophobicContact CG-CG2 4.16Å; P157-V160 WeakPolarHBondContact O-CB 3.46Å; P157-V160 PolarHBondContact O-N 3.34Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-V160 PolarHBondContact O-N 2.84Å; V160-T164 WeakPolarHBondContact O-CB 3.45Å; V160-T164 PolarHBondContact O-N 2.9Å; V160-T164 VanDerWaalsContact O-N 3.11Å; V160-T164 PolarHBondContact O-OG1 3.06Å; V160-F180 HydrophobicContact CG1-CD2 4.37Å; V160-K183 HydrophobicContact CG1-CD 4.08Å; V160-K183 HydrophobicContact CG1-CG 4.25Å; V160-I184 HydrophobicContact CB-CG2 4.1Å; V160-I184 HydrophobicContact CG1-CG2 3.61Å
161	V	98.3	Very high	98	Very high	46 Å²	46	56.2 Å²	56.2	28%	0.279	30%	0.296	S	S	.	.	H	α-helix	trans	-71	-48.5	178.4	175	0	0	0	0	111.3	I156 P157 L158 E159 T164 A165 F180 I184	I156-V161 HydrophobicContact CD1-CG2 4.19Å; P157-V161 PolarHBondContact O-N 3.33Å; L158-V161 PolarHBondContact O-N 2.85Å; L158-V161 VanDerWaalsContact O-N 3.13Å; E159-V161 VanDerWaalsContact C-N 3.28Å; E159-V161 PolarHBondContact O-N 3.08Å; V161-T164 PolarHBondContact O-N 3.44Å; V161-A165 VanDerWaalsContact O-CB 3.32Å; V161-A165 WeakPolarHBondContact O-CB 3.5Å; V161-A165 PolarHBondContact O-N 2.91Å; V161-F180 HydrophobicContact CG2-CE2 4.39Å; V161-I184 HydrophobicContact CG2-CB 4.38Å; V161-I184 HydrophobicContact CG2-CD1 4.17Å; V161-I184 HydrophobicContact CG2-CG2 3.97Å
162	S	97.6	Very high	97.9	Very high	46 Å²	46	57.6 Å²	57.6	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-43.8	-180	61.4	0	0	0	0	112.1	L158 E159 A165 L166	L158-S162 PolarHBondContact O-N 3.13Å; L158-S162 PolarHBondContact O-OG 3.42Å; E159-S162 WeakPolarHBondContact CA-OG 3.36Å; E159-S162 PolarHBondContact O-OG 3.06Å; E159-S162 VanDerWaalsContact O-OG 3.14Å; S162-A165 PolarHBondContact O-N 3.11Å; S162-L166 PolarHBondContact O-N 2.87Å
163	E	97.3	Very high	97.9	Very high	119 Å²	119	66.2 Å²	66.2	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-62.7	-44.6	177.1	-173.5	-168.5	179.8	0	0	111.4	E159 L166 N167	E159-E163 WeakPolarHBondContact O-CB 3.3Å; E159-E163 PolarHBondContact O-N 3.5Å; E163-L166 PolarHBondContact O-N 3.06Å; E163-N167 PolarHBondContact O-N 2.9Å; E163-N167 PolarHBondContact O-ND2 3.28Å
164	T	98.1	Very high	97.9	Very high	21 Å²	21	73.2 Å²	73.2	13%	0.129	38%	0.382	C	S	.	.	H	α-helix	trans	-67.2	-39.5	179.4	-57	0	0	0	0	111.3	V160 V161 L166 N167 F168 V176 F180	V160-T164 WeakPolarHBondContact O-CB 3.45Å; V160-T164 PolarHBondContact O-N 2.9Å; V160-T164 VanDerWaalsContact O-N 3.11Å; V160-T164 PolarHBondContact O-OG1 3.06Å; V161-T164 PolarHBondContact O-N 3.44Å; T164-L166 PolarHBondContact O-N 3.29Å; T164-N167 PolarHBondContact O-N 3.37Å; T164-F168 WeakPolarHBondContact O-CB 3.49Å; T164-F168 PolarHBondContact O-N 2.75Å; T164-V176 HydrophobicContact CG2-CG1 4.02Å; T164-V176 HydrophobicContact CG2-CG2 4.43Å; T164-F180 HydrophobicContact CG2-CB 4.47Å; T164-F180 HydrophobicContact CG2-CD1 4.32Å; T164-F180 HydrophobicContact CG2-CD2 3.62Å; T164-F180 HydrophobicContact CG2-CE1 4.5Å; T164-F180 HydrophobicContact CG2-CE2 3.82Å; T164-F180 HydrophobicContact CG2-CG 3.88Å; T164-F180 HydrophobicContact CG2-CZ 4.26Å; T164-F180 WeakPolarHBondContact OG1-CD2 3.29Å
165	A	98.5	Very high	97.8	Very high	40 Å²	40	80.1 Å²	80.1	33%	0.331	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-44.5	174.9	0	0	0	0	0	111.6	V161 S162 F168 Q169	V161-A165 VanDerWaalsContact O-CB 3.32Å; V161-A165 WeakPolarHBondContact O-CB 3.5Å; V161-A165 PolarHBondContact O-N 2.91Å; S162-A165 PolarHBondContact O-N 3.11Å; A165-F168 PolarHBondContact O-N 2.77Å; A165-Q169 VanDerWaalsContact O-CG 3.26Å; A165-Q169 WeakPolarHBondContact O-CG 3.23Å; A165-Q169 PolarHBondContact O-N 3.35Å
166	L	98.2	Very high	97.8	Very high	101 Å²	101	79.8 Å²	79.8	53%	0.529	40%	0.403	S	S	.	.	H	α-helix	trans	-63.2	-44.5	176.1	-177.9	64.4	0	0	0	111.7	S162 E163 T164 F168 Q169 T170	S162-L166 PolarHBondContact O-N 2.87Å; E163-L166 PolarHBondContact O-N 3.06Å; T164-L166 PolarHBondContact O-N 3.29Å; L166-F168 VanDerWaalsContact C-N 3.32Å; L166-F168 PolarHBondContact O-N 2.77Å; L166-Q169 PolarHBondContact O-N 3.49Å; L166-T170 HydrophobicContact CD1-CG2 3.82Å; L166-T170 HydrophobicContact CG-CG2 4.37Å; L166-T170 WeakPolarHBondContact O-CB 3.31Å; L166-T170 WeakPolarHBondContact O-CG2 3.49Å; L166-T170 PolarHBondContact O-N 3.42Å; L166-T170 PolarHBondContact O-OG1 2.73Å
167	N	97.7	Very high	97.8	Very high	38 Å²	38	79.2 Å²	79.2	20%	0.203	41%	0.405	C	S	.	.	H	α-helix	trans	-61.5	-39.9	175.9	-84.4	-40.7	0	0	0	112	E163 T164 K171	E163-N167 PolarHBondContact O-N 2.9Å; E163-N167 PolarHBondContact O-ND2 3.28Å; T164-N167 PolarHBondContact O-N 3.37Å; N167-K171 WeakPolarHBondContact O-CA 3.27Å; N167-K171 WeakPolarHBondContact O-CB 3.24Å; N167-K171 PolarHBondContact O-N 3.3Å; N167-K171 PolarHBondContact OD1-NZ 2.84Å
168	F	98.3	Very high	97.7	Very high	106 Å²	106	84.4 Å²	84.4	47%	0.465	44%	0.439	S	S	.	.	H	α-helix	trans	-63.3	-47.1	175.6	173.1	-109.4	0	0	0	111.7	T164 A165 L166 G172 V176	T164-F168 WeakPolarHBondContact O-CB 3.49Å; T164-F168 PolarHBondContact O-N 2.75Å; A165-F168 PolarHBondContact O-N 2.77Å; L166-F168 VanDerWaalsContact C-N 3.32Å; L166-F168 PolarHBondContact O-N 2.77Å; F168-G172 WeakPolarHBondContact O-CA 3.22Å; F168-G172 PolarHBondContact O-N 2.87Å; F168-V176 HydrophobicContact CB-CG2 3.97Å; F168-V176 HydrophobicContact CD2-CG2 3.85Å; F168-V176 HydrophobicContact CG-CG2 4.32Å
169	Q	98.5	Very high	97.8	Very high	150 Å²	150	87.7 Å²	87.7	70%	0.701	45%	0.451	S	S	*	.	H	α-helix	trans	-66.2	-39	-179.4	-70.9	167.5	6.1	0	0	112.6	A165 L166	A165-Q169 VanDerWaalsContact O-CG 3.26Å; A165-Q169 WeakPolarHBondContact O-CG 3.23Å; A165-Q169 PolarHBondContact O-N 3.35Å; L166-Q169 PolarHBondContact O-N 3.49Å
170	T	98.3	Very high	97.9	Very high	90 Å²	90	85.7 Å²	85.7	55%	0.552	44%	0.442	S	S	*	.	H	α-helix	trans	-91.2	-29	-173.3	56.1	0	0	0	0	113.8	L166	L166-T170 HydrophobicContact CD1-CG2 3.82Å; L166-T170 HydrophobicContact CG-CG2 4.37Å; L166-T170 WeakPolarHBondContact O-CB 3.31Å; L166-T170 WeakPolarHBondContact O-CG2 3.49Å; L166-T170 PolarHBondContact O-N 3.42Å; L166-T170 PolarHBondContact O-OG1 2.73Å
171	K	98.1	Very high	97.9	Very high	125 Å²	125	88.6 Å²	88.6	54%	0.543	46%	0.459	S	S	.	.	H	α-helix	trans	-125.9	-0.9	-173	-51.8	168.8	-174.9	157.9	0	114	N167 R175	N167-K171 WeakPolarHBondContact O-CA 3.27Å; N167-K171 WeakPolarHBondContact O-CB 3.24Å; N167-K171 PolarHBondContact O-N 3.3Å; N167-K171 PolarHBondContact OD1-NZ 2.84Å; K171-R175 HydrophobicContact CB-CB 4.04Å; K171-R175 HydrophobicContact CB-CG 3.56Å; K171-R175 HydrophobicContact CD-CG 4.39Å
172	G	97.8	Very high	97.9	Very high	30 Å²	30	88.6 Å²	88.6	31%	0.309	46%	0.46	S	S	.	.			trans	82.7	177.9	173.5	0	0	0	0	0	115.5	F168 N174 R175	F168-G172 WeakPolarHBondContact O-CA 3.22Å; F168-G172 PolarHBondContact O-N 2.87Å; G172-N174 PolarHBondContact O-N 3.02Å; G172-R175 PolarHBondContact O-N 3.25Å
173	Y	98.1	Very high	97.9	Very high	180 Å²	180	88.4 Å²	88.4	71%	0.706	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-51.1	-47.3	-173.7	172.2	-103.8	0	0	0	114.4	R175 V176	Y173-R175 PolarHBondContact O-N 2.93Å; Y173-V176 WeakPolarHBondContact O-CB 3.34Å; Y173-V176 PolarHBondContact O-N 2.87Å
174	N	97.9	Very high	98	Very high	148 Å²	148	84.1 Å²	84.1	79%	0.791	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-65.4	-8	-174.6	-63.2	72.8	0	0	0	114.5	G172	G172-N174 PolarHBondContact O-N 3.02Å
175	R	96.8	Very high	98	Very high	164 Å²	164	86.9 Å²	86.9	62%	0.619	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-95.3	-6.6	176.1	-64.3	-55.9	-60.1	-168.3	-3.4	113.9	K171 G172 Y173 S177	K171-R175 HydrophobicContact CB-CB 4.04Å; K171-R175 HydrophobicContact CB-CG 3.56Å; K171-R175 HydrophobicContact CD-CG 4.39Å; G172-R175 PolarHBondContact O-N 3.25Å; Y173-R175 PolarHBondContact O-N 2.93Å; R175-S177 PolarHBondContact O-N 2.98Å
176	V	97.8	Very high	98	Very high	43 Å²	43	86.9 Å²	86.9	26%	0.261	44%	0.442	S	S	.	.	S	Bend	trans	-70.3	125.2	171	-179	0	0	0	0	108.5	T164 F168 Y173 F180	T164-V176 HydrophobicContact CG2-CG1 4.02Å; T164-V176 HydrophobicContact CG2-CG2 4.43Å; F168-V176 HydrophobicContact CB-CG2 3.97Å; F168-V176 HydrophobicContact CD2-CG2 3.85Å; F168-V176 HydrophobicContact CG-CG2 4.32Å; Y173-V176 WeakPolarHBondContact O-CB 3.34Å; Y173-V176 PolarHBondContact O-N 2.87Å; V176-F180 HydrophobicContact CG1-CB 4.02Å; V176-F180 HydrophobicContact CG1-CD1 4.25Å; V176-F180 HydrophobicContact CG1-CG 4.32Å
177	S	97.4	Very high	98	Very high	53 Å²	53	85.7 Å²	85.7	37%	0.371	44%	0.436	S	S	.	.			trans	-62.3	135.9	177.2	177.9	0	0	0	0	110.3	R175 F179 F180	R175-S177 PolarHBondContact O-N 2.98Å; S177-F179 PolarHBondContact O-N 3.39Å; S177-F179 VanDerWaalsContact O-N 3.1Å; S177-F179 PolarHBondContact OG-N 2.87Å; S177-F179 VanDerWaalsContact OG-N 3.17Å; S177-F180 WeakPolarHBondContact O-CB 3.33Å; S177-F180 PolarHBondContact O-N 2.77Å
178	P	97.4	Very high	98	Very high	120 Å²	120	85.3 Å²	85.3	78%	0.779	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.3	170	-23.9	34.2	0	0	0	112.8	F180	P178-F180 VanDerWaalsContact C-N 3.32Å
179	F	97.6	Very high	98.1	Very high	112 Å²	112	80.2 Å²	80.2	49%	0.491	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.8	176.1	-60.3	-68.5	0	0	0	113.6	S177 V181 P182 K183	S177-F179 PolarHBondContact O-N 3.39Å; S177-F179 VanDerWaalsContact O-N 3.1Å; S177-F179 PolarHBondContact OG-N 2.87Å; S177-F179 VanDerWaalsContact OG-N 3.17Å; F179-V181 PolarHBondContact O-N 2.91Å; F179-P182 VanDerWaalsContact O-CD 3.29Å; F179-P182 WeakPolarHBondContact O-CD 3.14Å; F179-P182 WeakPolarHBondContact O-CG 3.39Å; F179-K183 WeakPolarHBondContact O-CB 3.42Å; F179-K183 PolarHBondContact O-N 3.48Å
180	F	98.2	Very high	98.1	Very high	44 Å²	44	73.1 Å²	73.1	19%	0.193	38%	0.378	C	S	.	.	H	α-helix	trans	-54	-55.5	-174.4	169.2	-117.8	0	0	0	112.4	V160 V161 T164 V176 S177 P178 K183 I184	V160-F180 HydrophobicContact CG1-CD2 4.37Å; V161-F180 HydrophobicContact CG2-CE2 4.39Å; T164-F180 HydrophobicContact CG2-CB 4.47Å; T164-F180 HydrophobicContact CG2-CD1 4.32Å; T164-F180 HydrophobicContact CG2-CD2 3.62Å; T164-F180 HydrophobicContact CG2-CE1 4.5Å; T164-F180 HydrophobicContact CG2-CE2 3.82Å; T164-F180 HydrophobicContact CG2-CG 3.88Å; T164-F180 HydrophobicContact CG2-CZ 4.26Å; T164-F180 WeakPolarHBondContact OG1-CD2 3.29Å; V176-F180 HydrophobicContact CG1-CB 4.02Å; V176-F180 HydrophobicContact CG1-CD1 4.25Å; V176-F180 HydrophobicContact CG1-CG 4.32Å; S177-F180 WeakPolarHBondContact O-CB 3.33Å; S177-F180 PolarHBondContact O-N 2.77Å; P178-F180 VanDerWaalsContact C-N 3.32Å; F180-K183 WeakPolarHBondContact O-CB 3.21Å; F180-K183 PolarHBondContact O-N 2.94Å; F180-K183 VanDerWaalsContact O-N 3.16Å; F180-I184 HydrophobicContact CD2-CG2 3.98Å; F180-I184 HydrophobicContact CE1-CD1 4Å; F180-I184 HydrophobicContact CE2-CD1 3.93Å; F180-I184 HydrophobicContact CE2-CG2 3.72Å; F180-I184 HydrophobicContact CZ-CD1 3.6Å; F180-I184 HydrophobicContact CZ-CG2 4.49Å; F180-I184 WeakPolarHBondContact O-CG1 3.47Å; F180-I184 WeakPolarHBondContact O-CG2 3.19Å; F180-I184 PolarHBondContact O-N 3.37Å
181	V	98.4	Very high	98.1	Very high	84 Å²	84	69.2 Å²	69.2	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-56.1	-179.6	177.7	0	0	0	0	111.8	F179 K183 I184 L185	F179-V181 PolarHBondContact O-N 2.91Å; V181-K183 PolarHBondContact O-N 2.81Å; V181-K183 VanDerWaalsContact O-N 3.13Å; V181-I184 WeakPolarHBondContact O-CG1 3.43Å; V181-I184 PolarHBondContact O-N 2.87Å; V181-I184 VanDerWaalsContact O-N 3.13Å; V181-L185 HydrophobicContact CG1-CD1 3.98Å; V181-L185 HydrophobicContact CG1-CG 4.24Å; V181-L185 WeakPolarHBondContact O-CG 3.18Å; V181-L185 PolarHBondContact O-N 3.26Å
182	P	97.9	Very high	98.1	Very high	47 Å²	47	64.8 Å²	64.8	31%	0.305	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-13.7	178.2	26.9	-35.5	0	0	0	113.9	F179 M188	F179-P182 VanDerWaalsContact O-CD 3.29Å; F179-P182 WeakPolarHBondContact O-CD 3.14Å; F179-P182 WeakPolarHBondContact O-CG 3.39Å; P182-M188 HydrophobicContact CB-CE 4.02Å; P182-M188 HydrophobicContact CB-SD 4.36Å; P182-M188 WeakPolarHBondContact O-CB 3.31Å; P182-M188 WeakPolarHBondContact O-CG 3.4Å
183	K	98.1	Very high	98.2	Very high	42 Å²	42	63.3 Å²	63.3	18%	0.183	32%	0.322	C	S	.	.	H	α-helix	trans	-80	-29.8	174	-173.3	169	-179	164.1	0	112.5	K114 S115 M116 S117 V160 F179 F180 V181	K114-K183 PolarHBondContact O-NZ 2.86Å; S115-K183 WeakPolarHBondContact O-CB 3.33Å; M116-K183 WeakPolarHBondContact O-CE 3.46Å; S117-K183 VanDerWaalsContact CB-O 3.31Å; S117-K183 WeakPolarHBondContact CB-O 3.39Å; S117-K183 PolarHBondContact OG-O 3.37Å; V160-K183 HydrophobicContact CG1-CD 4.08Å; V160-K183 HydrophobicContact CG1-CG 4.25Å; F179-K183 WeakPolarHBondContact O-CB 3.42Å; F179-K183 PolarHBondContact O-N 3.48Å; F180-K183 WeakPolarHBondContact O-CB 3.21Å; F180-K183 PolarHBondContact O-N 2.94Å; F180-K183 VanDerWaalsContact O-N 3.16Å; V181-K183 PolarHBondContact O-N 2.81Å; V181-K183 VanDerWaalsContact O-N 3.13Å
184	I	98.1	Very high	98.2	Very high	29 Å²	29	55.6 Å²	55.6	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-100.8	-16.3	-173.3	67	167	0	0	0	114.6	P157 V160 V161 F180 V181 I186	P157-I184 HydrophobicContact CG-CB 4.3Å; P157-I184 HydrophobicContact CG-CG2 4.15Å; V160-I184 HydrophobicContact CB-CG2 4.1Å; V160-I184 HydrophobicContact CG1-CG2 3.61Å; V161-I184 HydrophobicContact CG2-CB 4.38Å; V161-I184 HydrophobicContact CG2-CD1 4.17Å; V161-I184 HydrophobicContact CG2-CG2 3.97Å; F180-I184 HydrophobicContact CD2-CG2 3.98Å; F180-I184 HydrophobicContact CE1-CD1 4Å; F180-I184 HydrophobicContact CE2-CD1 3.93Å; F180-I184 HydrophobicContact CE2-CG2 3.72Å; F180-I184 HydrophobicContact CZ-CD1 3.6Å; F180-I184 HydrophobicContact CZ-CG2 4.49Å; F180-I184 WeakPolarHBondContact O-CG1 3.47Å; F180-I184 WeakPolarHBondContact O-CG2 3.19Å; F180-I184 PolarHBondContact O-N 3.37Å; V181-I184 WeakPolarHBondContact O-CG1 3.43Å; V181-I184 PolarHBondContact O-N 2.87Å; V181-I184 VanDerWaalsContact O-N 3.13Å; I184-I186 PolarHBondContact O-N 2.81Å
185	L	98.6	Very high	98.3	Very high	78 Å²	78	54.1 Å²	54.1	41%	0.408	29%	0.285	S	S	.	.			trans	-68.6	131.1	-178.7	-72.6	174.1	0	0	0	111.4	V181 N187 M188	V181-L185 HydrophobicContact CG1-CD1 3.98Å; V181-L185 HydrophobicContact CG1-CG 4.24Å; V181-L185 WeakPolarHBondContact O-CG 3.18Å; V181-L185 PolarHBondContact O-N 3.26Å; L185-N187 VanDerWaalsContact C-N 3.3Å; L185-N187 WeakPolarHBondContact CB-OD1 3.4Å; L185-N187 PolarHBondContact O-N 3.47Å; L185-M188 HydrophobicContact CB-CG 3.69Å; L185-M188 VanDerWaalsContact O-CB 3.28Å; L185-M188 WeakPolarHBondContact O-CB 3.42Å; L185-M188 PolarHBondContact O-N 3.3Å; L185-M188 VanDerWaalsContact O-N 3.11Å
186	I	98.3	Very high	98.4	Very high	41 Å²	41	50.4 Å²	50.4	21%	0.21	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-43.6	-179.2	-73.8	160.2	0	0	0	111.9	M153 I156 I184 M188	M153-I186 HydrophobicContact CB-CB 4.28Å; M153-I186 HydrophobicContact CB-CG1 4.36Å; M153-I186 HydrophobicContact CB-CG2 3.72Å; M153-I186 WeakPolarHBondContact O-CG2 3.46Å; I156-I186 HydrophobicContact CG2-CD1 4.12Å; I156-I186 HydrophobicContact CG2-CG1 4Å; I184-I186 PolarHBondContact O-N 2.81Å; I186-M188 PolarHBondContact O-N 2.89Å; I186-M188 VanDerWaalsContact O-N 3.07Å
187	N	98.6	Very high	98.4	Very high	75 Å²	75	50.3 Å²	50.3	40%	0.401	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-6.6	-176.4	74.5	-55.4	0	0	0	114	L185 A189 A190 G191 A205	L185-N187 VanDerWaalsContact C-N 3.3Å; L185-N187 WeakPolarHBondContact CB-OD1 3.4Å; L185-N187 PolarHBondContact O-N 3.47Å; N187-A189 VanDerWaalsContact C-N 3.27Å; N187-A189 PolarHBondContact O-N 2.95Å; N187-A190 PolarHBondContact O-N 2.95Å; N187-G191 PolarHBondContact O-N 3.37Å; N187-A205 HydrophobicContact CB-CB 3.59Å
188	M	98.6	Very high	98.5	Very high	30 Å²	30	53.3 Å²	53.3	15%	0.148	27%	0.273	C	S	.	.	H	α-helix	trans	-74.5	-17.3	-176.2	-68.7	-68.9	-48.9	0	0	113.2	P182 L185 I186 Q192	P182-M188 HydrophobicContact CB-CE 4.02Å; P182-M188 HydrophobicContact CB-SD 4.36Å; P182-M188 WeakPolarHBondContact O-CB 3.31Å; P182-M188 WeakPolarHBondContact O-CG 3.4Å; L185-M188 HydrophobicContact CB-CG 3.69Å; L185-M188 VanDerWaalsContact O-CB 3.28Å; L185-M188 WeakPolarHBondContact O-CB 3.42Å; L185-M188 PolarHBondContact O-N 3.3Å; L185-M188 VanDerWaalsContact O-N 3.11Å; I186-M188 PolarHBondContact O-N 2.89Å; I186-M188 VanDerWaalsContact O-N 3.07Å; M188-Q192 HydrophobicContact CE-CG 4.23Å; M188-Q192 VanDerWaalsContact O-CB 3.31Å; M188-Q192 WeakPolarHBondContact O-CB 3.46Å; M188-Q192 WeakPolarHBondContact O-CG 3.23Å; M188-Q192 PolarHBondContact O-N 3.5Å
189	A	98.7	Very high	98.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-54.2	165.7	0	0	0	0	0	110.8	A123 I151 M153 N187 V193 T237	A123-A189 HydrophobicContact CB-CB 3.87Å; I151-A189 HydrophobicContact CG2-CB 3.89Å; M153-A189 HydrophobicContact CE-CB 3.93Å; N187-A189 VanDerWaalsContact C-N 3.27Å; N187-A189 PolarHBondContact O-N 2.95Å; A189-V193 WeakPolarHBondContact O-CG2 3.02Å; A189-V193 PolarHBondContact O-N 2.95Å; A189-V193 VanDerWaalsContact O-N 3.12Å; A189-T237 HydrophobicContact CB-CG2 3.78Å
190	A	98.9	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-43.6	175.4	0	0	0	0	0	112.1	V149 I151 N187 Q192 V193 S194 H204 A205	V149-A190 HydrophobicContact CG1-CB 3.84Å; I151-A190 HydrophobicContact CB-CB 4.14Å; N187-A190 PolarHBondContact O-N 2.95Å; A190-Q192 PolarHBondContact O-N 2.85Å; A190-V193 PolarHBondContact O-N 3.3Å; A190-S194 WeakPolarHBondContact O-CB 3.42Å; A190-S194 PolarHBondContact O-N 2.9Å; A190-H204 WeakPolarHBondContact CB-O 3.4Å; A190-A205 HydrophobicContact CB-CB 4.4Å
191	G	98.8	Very high	98.6	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-48.1	178.2	0	0	0	0	0	113.2	N187 S194 I195	N187-G191 PolarHBondContact O-N 3.37Å; G191-S194 PolarHBondContact O-N 2.92Å; G191-I195 WeakPolarHBondContact O-CD1 3.23Å; G191-I195 VanDerWaalsContact O-CG1 3.26Å; G191-I195 WeakPolarHBondContact O-CG1 3.17Å; G191-I195 PolarHBondContact O-N 2.9Å
192	Q	98.8	Very high	98.6	Very high	32 Å²	32	43.7 Å²	43.7	15%	0.15	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-38.9	178.9	-68.8	-64.8	-10.7	0	0	112.2	M116 T120 I124 M188 A190 I195 R196	M116-Q192 HydrophobicContact CE-CG 4.03Å; M116-Q192 HydrophobicContact CG-CG 4.5Å; M116-Q192 HydrophobicContact SD-CG 4.03Å; T120-Q192 HydrophobicContact CG2-CB 3.97Å; T120-Q192 HydrophobicContact CG2-CG 3.72Å; I124-Q192 HydrophobicContact CD1-CB 3.99Å; I124-Q192 HydrophobicContact CG1-CB 4.34Å; M188-Q192 HydrophobicContact CE-CG 4.23Å; M188-Q192 VanDerWaalsContact O-CB 3.31Å; M188-Q192 WeakPolarHBondContact O-CB 3.46Å; M188-Q192 WeakPolarHBondContact O-CG 3.23Å; M188-Q192 PolarHBondContact O-N 3.5Å; A190-Q192 PolarHBondContact O-N 2.85Å; Q192-I195 PolarHBondContact O-N 2.67Å; Q192-R196 VanDerWaalsContact O-CB 3.31Å; Q192-R196 WeakPolarHBondContact O-CB 3.47Å; Q192-R196 WeakPolarHBondContact O-CG 3.46Å; Q192-R196 PolarHBondContact O-N 2.86Å
193	V	98.9	Very high	98.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-46	174.1	168.2	0	0	0	0	110.7	I124 A127 V149 I151 A189 A190 I195 R196 Y197 L199 V233	I124-V193 HydrophobicContact CG1-CG2 4.14Å; A127-V193 HydrophobicContact CB-CB 4.47Å; A127-V193 HydrophobicContact CB-CG1 3.74Å; A127-V193 HydrophobicContact CB-CG2 3.81Å; V149-V193 HydrophobicContact CG1-CB 4.26Å; V149-V193 HydrophobicContact CG1-CG1 3.97Å; V149-V193 HydrophobicContact CG2-CG1 4.18Å; I151-V193 HydrophobicContact CD1-CB 4.1Å; I151-V193 HydrophobicContact CD1-CG1 4.05Å; I151-V193 HydrophobicContact CD1-CG2 3.81Å; A189-V193 WeakPolarHBondContact O-CG2 3.02Å; A189-V193 PolarHBondContact O-N 2.95Å; A189-V193 VanDerWaalsContact O-N 3.12Å; A190-V193 PolarHBondContact O-N 3.3Å; V193-I195 PolarHBondContact O-N 2.75Å; V193-R196 PolarHBondContact O-N 2.91Å; V193-Y197 HydrophobicContact CG1-CD2 3.92Å; V193-Y197 HydrophobicContact CG1-CE2 4.33Å; V193-Y197 WeakPolarHBondContact O-CD2 3.21Å; V193-Y197 PolarHBondContact O-N 3.47Å; V193-L199 HydrophobicContact CG1-CD1 4.25Å; V193-V233 HydrophobicContact CG1-CG1 4.05Å
194	S	98.9	Very high	98.7	Very high	18 Å²	18	46.4 Å²	46.4	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-49.6	175.1	164.5	0	0	0	0	112.1	A190 G191 R196 K198 L199	A190-S194 WeakPolarHBondContact O-CB 3.42Å; A190-S194 PolarHBondContact O-N 2.9Å; G191-S194 PolarHBondContact O-N 2.92Å; S194-R196 PolarHBondContact O-N 3.48Å; S194-K198 CarbonylContact O-C 3.55Å; S194-K198 VanDerWaalsContact O-CA 3.3Å; S194-K198 WeakPolarHBondContact O-CA 3.3Å; S194-K198 PolarHBondContact O-N 3.49Å; S194-L199 PolarHBondContact O-N 2.71Å; S194-L199 PolarHBondContact OG-O 2.89Å
195	I	98.8	Very high	98.8	Very high	116 Å²	116	46.5 Å²	46.5	60%	0.595	24%	0.236	S	C	*	.	H	α-helix	trans	-60.9	-47.1	179.6	-70.1	163.2	0	0	0	111.2	G191 Q192 V193	G191-I195 WeakPolarHBondContact O-CD1 3.23Å; G191-I195 VanDerWaalsContact O-CG1 3.26Å; G191-I195 WeakPolarHBondContact O-CG1 3.17Å; G191-I195 PolarHBondContact O-N 2.9Å; Q192-I195 PolarHBondContact O-N 2.67Å; V193-I195 PolarHBondContact O-N 2.75Å
196	R	98.6	Very high	98.8	Very high	87 Å²	87	43.7 Å²	43.7	33%	0.328	22%	0.222	S	C	.	.	H	α-helix	trans	-68.6	-41.2	-173.7	-71.5	178.1	74.2	73.4	9.9	112.6	F107 D112 Q192 V193 S194	F107-R196 PolarHBondContact O-NH2 2.88Å; D112-R196 IonicContact OD2-NH1 3.76Å; Q192-R196 VanDerWaalsContact O-CB 3.31Å; Q192-R196 WeakPolarHBondContact O-CB 3.47Å; Q192-R196 WeakPolarHBondContact O-CG 3.46Å; Q192-R196 PolarHBondContact O-N 2.86Å; V193-R196 PolarHBondContact O-N 2.91Å; S194-R196 PolarHBondContact O-N 3.48Å
197	Y	98.7	Very high	98.8	Very high	40 Å²	40	44.5 Å²	44.5	16%	0.157	23%	0.232	C	C	.	.	H	α-helix	trans	-100.8	7.6	-176.7	-54.5	-69.1	0	0	0	113.4	I124 A127 E128 L131 V193 L199	I124-Y197 PolarHBondContact O-OH 3.25Å; A127-Y197 HydrophobicContact CB-CE2 4.21Å; E128-Y197 VanDerWaalsContact CB-OH 3.26Å; E128-Y197 WeakPolarHBondContact CB-OH 3.31Å; E128-Y197 HydrophobicContact CG-CE1 4.34Å; E128-Y197 PolarHBondContact OE2-OH 3.03Å; L131-Y197 HydrophobicContact CD1-CD1 3.88Å; L131-Y197 HydrophobicContact CD1-CD2 3.77Å; L131-Y197 HydrophobicContact CD1-CE1 4.38Å; L131-Y197 HydrophobicContact CD1-CE2 4.29Å; L131-Y197 HydrophobicContact CD1-CG 3.57Å; V193-Y197 HydrophobicContact CG1-CD2 3.92Å; V193-Y197 HydrophobicContact CG1-CE2 4.33Å; V193-Y197 WeakPolarHBondContact O-CD2 3.21Å; V193-Y197 PolarHBondContact O-N 3.47Å; Y197-L199 WeakPolarHBondContact O-CD2 3.26Å; Y197-L199 PolarHBondContact O-N 3.42Å
198	K	98.8	Very high	98.8	Very high	117 Å²	117	42.7 Å²	42.7	51%	0.509	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	40.6	178.1	-53.6	176	-176.7	172.8	0	113.5	Q144 S194	Q144-K198 VanDerWaalsContact CB-O 3.26Å; Q144-K198 WeakPolarHBondContact CB-O 3.31Å; Q144-K198 HydrophobicContact CG-CB 4.16Å; Q144-K198 WeakPolarHBondContact CG-O 3.42Å; S194-K198 CarbonylContact O-C 3.55Å; S194-K198 VanDerWaalsContact O-CA 3.3Å; S194-K198 WeakPolarHBondContact O-CA 3.3Å; S194-K198 PolarHBondContact O-N 3.49Å
199	L	98.9	Very high	98.8	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.229	C	C	.	.			trans	-90	110.7	-176.8	-44.1	179.7	0	0	0	108.8	P138 T147 V149 V193 S194 Y197 V233	P138-L199 HydrophobicContact CG-CD2 3.51Å; T147-L199 HydrophobicContact CG2-CB 4.35Å; T147-L199 HydrophobicContact CG2-CD1 4.31Å; T147-L199 HydrophobicContact CG2-CD2 3.7Å; T147-L199 HydrophobicContact CG2-CG 4.32Å; T147-L199 CarbonylContact O-C 3.56Å; V149-L199 HydrophobicContact CG2-CB 3.73Å; V149-L199 HydrophobicContact CG2-CD1 3.4Å; V149-L199 VanDerWaalsContact CG2-CD1 3.4Å; V149-L199 HydrophobicContact CG2-CG 4.15Å; V193-L199 HydrophobicContact CG1-CD1 4.25Å; S194-L199 PolarHBondContact O-N 2.71Å; S194-L199 PolarHBondContact OG-O 2.89Å; Y197-L199 WeakPolarHBondContact O-CD2 3.26Å; Y197-L199 PolarHBondContact O-N 3.42Å; L199-V233 HydrophobicContact CD1-CB 4.2Å; L199-V233 HydrophobicContact CD1-CG2 3.6Å
200	K	98.9	Very high	98.8	Very high	106 Å²	106	43.2 Å²	43.2	46%	0.461	23%	0.232	S	C	.	.			trans	-109.9	0.8	-167.2	-66.7	178.2	175.9	175.7	0	114.1	E141 Q144 V145 T147	E141-K200 WeakPolarHBondContact OE1-CD 3.48Å; E141-K200 IonicContact OE1-NZ 2.75Å; E141-K200 PolarHBondContact OE1-NZ 3.29Å; E141-K200 IonicContact OE2-NZ 3.56Å; E141-K200 PolarHBondContact OE2-NZ 3.17Å; Q144-K200 HydrophobicContact CB-CB 4.4Å; Q144-K200 HydrophobicContact CB-CD 4.03Å; Q144-K200 HydrophobicContact CB-CG 4.24Å; Q144-K200 WeakPolarHBondContact O-CA 3.45Å; Q144-K200 PolarHBondContact O-N 3.38Å; V145-K200 HydrophobicContact CG1-CB 4.03Å; V145-K200 HydrophobicContact CG1-CD 4.32Å; T147-K200 PolarHBondContact O-N 3.43Å
201	G	98.9	Very high	98.8	Very high	18 Å²	18	43.2 Å²	43.2	19%	0.186	23%	0.232	C	C	.	.	S	Bend	trans	-72	-157.4	171.2	0	0	0	0	0	112.7	Q144 V145 T147 N203	Q144-G201 PolarHBondContact O-N 3.04Å; V145-G201 WeakPolarHBondContact O-CA 3.39Å; T147-G201 WeakPolarHBondContact O-CA 3.45Å; T147-G201 PolarHBondContact O-N 3.49Å; G201-N203 PolarHBondContact O-N 3.4Å
202	P	98.9	Very high	98.8	Very high	32 Å²	32	42.8 Å²	42.8	21%	0.208	23%	0.228	C	C	.	.			trans	-51.8	123.9	176.9	-26.4	34.9	0	0	0	111.8	G148 V149 D228 A229 M232	G148-P202 CarbonylContact C-O 2.82Å; G148-P202 WeakPolarHBondContact CA-O 3.27Å; V149-P202 PolarHBondContact N-O 3Å; V149-P202 VanDerWaalsContact O-O 3.13Å; P202-D228 HydrophobicContact CG-CB 4.27Å; P202-A229 HydrophobicContact CG-CB 4.2Å; P202-M232 HydrophobicContact CB-CE 4.48Å; P202-M232 HydrophobicContact CB-SD 4.4Å; P202-M232 HydrophobicContact CG-SD 4.47Å
203	N	98.9	Very high	98.8	Very high	83 Å²	83	41.3 Å²	41.3	44%	0.444	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	103.1	175.7	-173.4	-18.2	0	0	0	108.9	G201	G201-N203 PolarHBondContact O-N 3.4Å
204	H	98.9	Very high	98.8	Very high	63 Å²	63	41.3 Å²	41.3	29%	0.292	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.8	-167.9	-172.4	-116.5	0	0	0	111.2	V149 A150 I151 A190 V206 D219 F223	V149-H204 PolarHBondContact O-N 3.36Å; A150-H204 VanDerWaalsContact CA-O 3.29Å; A150-H204 WeakPolarHBondContact CA-O 3.37Å; A150-H204 HydrophobicContact CB-CB 4.13Å; I151-H204 PolarHBondContact N-O 3.02Å; A190-H204 WeakPolarHBondContact CB-O 3.4Å; H204-V206 WeakPolarHBondContact CE1-CG1 3.37Å; H204-D219 IonicContact CE1-OD2 2.71Å; H204-D219 PolarHBondContact CE1-OD2 3.26Å; H204-F223 HydrophobicContact CB-CE2 4.21Å
205	A	98.9	Very high	98.8	Very high	31 Å²	31	41 Å²	41	26%	0.256	22%	0.217	S	C	.	.			trans	-150.9	122.1	173.2	0	0	0	0	0	110	I151 N187 A190	I151-A205 WeakPolarHBondContact O-CB 3.32Å; N187-A205 HydrophobicContact CB-CB 3.59Å; A190-A205 HydrophobicContact CB-CB 4.4Å
206	V	98.8	Very high	98.8	Very high	19 Å²	19	35.5 Å²	35.5	12%	0.115	19%	0.189	C	C	.	.			trans	-96.3	156.7	173.3	-64.6	0	0	0	0	110.8	G152 M153 H204 T212 H215 A216 D219	G152-V206 WeakPolarHBondContact CA-O 3.23Å; M153-V206 PolarHBondContact N-O 2.9Å; H204-V206 WeakPolarHBondContact CE1-CG1 3.37Å; V206-T212 HydrophobicContact CG2-CG2 4.2Å; V206-T212 WeakPolarHBondContact CG2-O 3.33Å; V206-T212 WeakPolarHBondContact O-CG2 3.41Å; V206-H215 HydrophobicContact CG2-CB 4.02Å; V206-A216 HydrophobicContact CG2-CB 3.91Å; V206-D219 VanDerWaalsContact CG1-OD2 3.3Å; V206-D219 WeakPolarHBondContact CG1-OD2 3.31Å
207	S	98.8	Very high	98.8	Very high	59 Å²	59	31.3 Å²	31.3	41%	0.413	17%	0.174	S	C	.	.			trans	-144.7	93.5	173.3	171.3	0	0	0	0	108.5	M153	M153-S207 WeakPolarHBondContact O-CB 3.49Å; M153-S207 PolarHBondContact O-OG 3.47Å
208	T	98.8	Very high	98.8	Very high	36 Å²	36	29.4 Å²	29.4	22%	0.221	17%	0.166	C	C	.	.			trans	-130.7	46.2	-172.9	46.1	0	0	0	0	110.4	C210 T211 T212 H215 T451	T208-C210 PolarHBondContact O-N 2.93Å; T208-T211 WeakPolarHBondContact O-CB 3.25Å; T208-T211 PolarHBondContact O-N 3.03Å; T208-T212 PolarHBondContact N-OG1 3.07Å; T208-T212 VanDerWaalsContact OG1-CA 3.29Å; T208-T212 WeakPolarHBondContact OG1-CA 3.42Å; T208-T212 PolarHBondContact OG1-N 3.06Å; T208-H215 WeakPolarHBondContact CB-ND1 3.37Å; T208-H215 PolarHBondContact OG1-ND1 3.3Å; T208-T451 WeakPolarHBondContact O-CG2 3.36Å
209	A	98.4	Very high	98.8	Very high	32 Å²	32	25.6 Å²	25.6	26%	0.264	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	51.5	-129.9	-176.6	0	0	0	0	0	111.5	T211 T212 G389 F448	A209-T211 PolarHBondContact O-N 2.78Å; A209-T212 PolarHBondContact N-OG1 3.16Å; A209-T212 VanDerWaalsContact O-CB 3.29Å; A209-T212 WeakPolarHBondContact O-CB 3.5Å; A209-T212 PolarHBondContact O-N 3.42Å; A209-T212 PolarHBondContact O-OG1 3.18Å; A209-G389 WeakPolarHBondContact O-CA 3.29Å; A209-F448 HydrophobicContact CB-CB 4.22Å
210	C	98	Very high	98.8	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.061	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-66.1	-16.4	-178.4	-52	0	0	0	0	114.1	T208 H386	T208-C210 PolarHBondContact O-N 2.93Å; C210-H386 PolarHBondContact SG-NE2 2.74Å
211	T	98.7	Very high	98.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-87.3	-8.5	-178.3	-44.3	0	0	0	0	112.8	T208 A209 G213 A214 H215 S445 G447 T451 A453	T208-T211 WeakPolarHBondContact O-CB 3.25Å; T208-T211 PolarHBondContact O-N 3.03Å; A209-T211 PolarHBondContact O-N 2.78Å; T211-G213 PolarHBondContact O-N 2.67Å; T211-A214 PolarHBondContact O-N 2.95Å; T211-A214 VanDerWaalsContact O-N 3.12Å; T211-H215 VanDerWaalsContact CG2-CE1 3.43Å; T211-H215 WeakPolarHBondContact CG2-CE1 3.2Å; T211-H215 PolarHBondContact O-N 3.31Å; T211-S445 WeakPolarHBondContact CG2-O 3.26Å; T211-S445 PolarHBondContact OG1-O 3.49Å; T211-G447 WeakPolarHBondContact OG1-CA 3.31Å; T211-G447 PolarHBondContact OG1-N 2.95Å; T211-T451 PolarHBondContact OG1-O 3.03Å; T211-A453 HydrophobicContact CG2-CB 3.33Å
212	T	98.9	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-48.4	-53.3	-175.1	-63.4	0	0	0	0	114	G152 V206 T208 A209 A214 H215 A216	G152-T212 VanDerWaalsContact CA-CG2 3.42Å; V206-T212 HydrophobicContact CG2-CG2 4.2Å; V206-T212 WeakPolarHBondContact CG2-O 3.33Å; V206-T212 WeakPolarHBondContact O-CG2 3.41Å; T208-T212 PolarHBondContact N-OG1 3.07Å; T208-T212 VanDerWaalsContact OG1-CA 3.29Å; T208-T212 WeakPolarHBondContact OG1-CA 3.42Å; T208-T212 PolarHBondContact OG1-N 3.06Å; A209-T212 PolarHBondContact N-OG1 3.16Å; A209-T212 VanDerWaalsContact O-CB 3.29Å; A209-T212 WeakPolarHBondContact O-CB 3.5Å; A209-T212 PolarHBondContact O-N 3.42Å; A209-T212 PolarHBondContact O-OG1 3.18Å; T212-A214 PolarHBondContact O-N 3.11Å; T212-H215 PolarHBondContact O-N 3.26Å; T212-A216 WeakPolarHBondContact O-CB 3.43Å; T212-A216 PolarHBondContact O-N 3.2Å
213	G	98.9	Very high	98.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-36.9	-177.8	0	0	0	0	0	113.3	T211 A216 V217 G389	T211-G213 PolarHBondContact O-N 2.67Å; G213-A216 PolarHBondContact O-N 2.92Å; G213-V217 WeakPolarHBondContact O-CG2 3.1Å; G213-V217 PolarHBondContact O-N 3.3Å; G213-G389 WeakPolarHBondContact CA-O 3.28Å; G213-G389 PolarHBondContact N-O 3.42Å
214	A	98.9	Very high	98.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68	-44.7	176.7	0	0	0	0	0	111.3	T211 T212 A216 V217 G218 A453 L455	T211-A214 PolarHBondContact O-N 2.95Å; T211-A214 VanDerWaalsContact O-N 3.12Å; T212-A214 PolarHBondContact O-N 3.11Å; A214-A216 PolarHBondContact O-N 3.27Å; A214-V217 PolarHBondContact O-N 3.47Å; A214-G218 PolarHBondContact O-N 3.12Å; A214-A453 HydrophobicContact CB-CB 4.02Å; A214-L455 HydrophobicContact CB-CD1 4.44Å
215	H	98.9	Very high	98.8	Very high	11 Å²	11	16.5 Å²	16.5	5%	0.051	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-42.1	174.7	-75	154.3	0	0	0	112.1	V206 T208 T211 T212 V217 G218 D219 Y306 T451	V206-H215 HydrophobicContact CG2-CB 4.02Å; T208-H215 WeakPolarHBondContact CB-ND1 3.37Å; T208-H215 PolarHBondContact OG1-ND1 3.3Å; T211-H215 VanDerWaalsContact CG2-CE1 3.43Å; T211-H215 WeakPolarHBondContact CG2-CE1 3.2Å; T211-H215 PolarHBondContact O-N 3.31Å; T212-H215 PolarHBondContact O-N 3.26Å; H215-V217 VanDerWaalsContact C-N 3.31Å; H215-V217 PolarHBondContact O-N 3.24Å; H215-G218 PolarHBondContact O-N 2.93Å; H215-D219 VanDerWaalsContact O-CB 3.27Å; H215-D219 WeakPolarHBondContact O-CB 3.46Å; H215-D219 PolarHBondContact O-N 3.44Å; H215-Y306 WeakPolarHBondContact CA-OH 3.4Å; H215-Y306 AromaticContact CD2-CE2 3.95Å; H215-Y306 AromaticContact CD2-CZ 3.9Å; H215-Y306 PolarHBondContact CD2-OH 2.92Å; H215-Y306 PolarHBondContact O-OH 3.19Å; H215-T451 PolarHBondContact CE1-OG1 3.26Å
216	A	98.9	Very high	98.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-41.1	179.2	0	0	0	0	0	112.7	V206 T212 G213 A214 S220 G235	V206-A216 HydrophobicContact CG2-CB 3.91Å; T212-A216 WeakPolarHBondContact O-CB 3.43Å; T212-A216 PolarHBondContact O-N 3.2Å; G213-A216 PolarHBondContact O-N 2.92Å; A214-A216 PolarHBondContact O-N 3.27Å; A216-S220 WeakPolarHBondContact O-CB 3.22Å; A216-S220 PolarHBondContact O-N 3.48Å; A216-S220 VanDerWaalsContact O-N 3.15Å; A216-S220 PolarHBondContact O-OG 3.4Å; A216-G235 WeakPolarHBondContact CB-O 3.47Å
217	V	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.2	-46	174.9	174.3	0	0	0	0	111.1	G213 A214 H215 S220 F221 A234 L284 L286 L455	G213-V217 WeakPolarHBondContact O-CG2 3.1Å; G213-V217 PolarHBondContact O-N 3.3Å; A214-V217 PolarHBondContact O-N 3.47Å; H215-V217 VanDerWaalsContact C-N 3.31Å; H215-V217 PolarHBondContact O-N 3.24Å; V217-S220 WeakPolarHBondContact O-CB 3.28Å; V217-S220 PolarHBondContact O-N 3.5Å; V217-F221 PolarHBondContact O-N 2.93Å; V217-A234 HydrophobicContact CG2-CB 4.39Å; V217-L284 HydrophobicContact CG2-CD1 3.9Å; V217-L286 HydrophobicContact CG1-CD1 4.31Å; V217-L286 HydrophobicContact CG1-CD2 4.13Å; V217-L455 HydrophobicContact CB-CD1 3.86Å; V217-L455 HydrophobicContact CG1-CD1 3.7Å; V217-L455 HydrophobicContact CG1-CD2 4.47Å
218	G	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-41	179	0	0	0	0	0	113.5	A214 H215 S220 F221 R222 Y306	A214-G218 PolarHBondContact O-N 3.12Å; H215-G218 PolarHBondContact O-N 2.93Å; G218-S220 VanDerWaalsContact C-N 3.35Å; G218-F221 WeakPolarHBondContact O-CB 3.49Å; G218-F221 PolarHBondContact O-N 3.44Å; G218-R222 VanDerWaalsContact O-CG 3.31Å; G218-R222 WeakPolarHBondContact O-CG 3.34Å; G218-R222 PolarHBondContact O-N 2.86Å; G218-Y306 VanDerWaalsContact CA-CD1 3.46Å; G218-Y306 WeakPolarHBondContact O-CD1 3.32Å
219	D	98.9	Very high	98.7	Very high	37 Å²	37	24.7 Å²	24.7	20%	0.198	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-39.5	176.4	-65.6	-9.1	0	0	0	110.7	H204 V206 H215 R222 F223 Y306	H204-D219 IonicContact CE1-OD2 2.71Å; H204-D219 PolarHBondContact CE1-OD2 3.26Å; V206-D219 VanDerWaalsContact CG1-OD2 3.3Å; V206-D219 WeakPolarHBondContact CG1-OD2 3.31Å; H215-D219 VanDerWaalsContact O-CB 3.27Å; H215-D219 WeakPolarHBondContact O-CB 3.46Å; H215-D219 PolarHBondContact O-N 3.44Å; D219-R222 WeakPolarHBondContact O-CB 3.41Å; D219-R222 PolarHBondContact O-N 2.7Å; D219-R222 VanDerWaalsContact O-N 3.14Å; D219-F223 HydrophobicContact CB-CE2 4.36Å; D219-F223 WeakPolarHBondContact O-CD2 3.38Å; D219-F223 PolarHBondContact O-N 3.27Å; D219-Y306 VanDerWaalsContact OD1-CE1 3.31Å; D219-Y306 WeakPolarHBondContact OD1-CE1 3.04Å; D219-Y306 PolarHBondContact OD1-OH 3.1Å
220	S	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-43.5	173.8	-64.1	0	0	0	0	112.9	A150 A216 V217 G218 R222 F223 I224 A234	A150-S220 WeakPolarHBondContact CB-OG 3.33Å; A216-S220 WeakPolarHBondContact O-CB 3.22Å; A216-S220 PolarHBondContact O-N 3.48Å; A216-S220 VanDerWaalsContact O-N 3.15Å; A216-S220 PolarHBondContact O-OG 3.4Å; V217-S220 WeakPolarHBondContact O-CB 3.28Å; V217-S220 PolarHBondContact O-N 3.5Å; G218-S220 VanDerWaalsContact C-N 3.35Å; S220-R222 PolarHBondContact O-N 2.98Å; S220-F223 PolarHBondContact O-N 2.96Å; S220-I224 WeakPolarHBondContact O-CG1 2.96Å; S220-I224 PolarHBondContact O-N 2.94Å; S220-A234 WeakPolarHBondContact OG-CB 3.34Å
221	F	98.9	Very high	98.7	Very high	4 Å²	4	25 Å²	25	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-53.5	-45.3	170.9	155.9	-111.7	0	0	0	110.9	H42 V45 V217 G218 I224 A225 L286 V303	H42-F221 AromaticContact CE1-CZ 3.68Å; V45-F221 HydrophobicContact CB-CD2 3.78Å; V45-F221 HydrophobicContact CB-CE2 4.31Å; V45-F221 HydrophobicContact CG1-CD2 4.36Å; V45-F221 HydrophobicContact CG2-CD2 3.68Å; V45-F221 HydrophobicContact CG2-CE2 4.08Å; V217-F221 PolarHBondContact O-N 2.93Å; G218-F221 WeakPolarHBondContact O-CB 3.49Å; G218-F221 PolarHBondContact O-N 3.44Å; F221-I224 PolarHBondContact O-N 3.07Å; F221-A225 HydrophobicContact CE2-CB 4.44Å; F221-A225 VanDerWaalsContact O-CB 3.23Å; F221-A225 WeakPolarHBondContact O-CB 3.33Å; F221-A225 PolarHBondContact O-N 2.84Å; F221-L286 HydrophobicContact CB-CD2 4.03Å; F221-V303 HydrophobicContact CB-CG1 4.01Å; F221-V303 HydrophobicContact CD1-CG1 4.32Å; F221-V303 HydrophobicContact CD2-CB 4.01Å; F221-V303 HydrophobicContact CD2-CG1 3.82Å; F221-V303 HydrophobicContact CE2-CG1 4.34Å; F221-V303 VanDerWaalsContact CE2-O 3.27Å; F221-V303 WeakPolarHBondContact CE2-O 3.33Å; F221-V303 HydrophobicContact CG-CB 4.42Å; F221-V303 HydrophobicContact CG-CG1 3.8Å
222	R	98.8	Very high	98.7	Very high	54 Å²	54	25 Å²	25	20%	0.204	13%	0.125	C	C	.	.	H	α-helix	trans	-69.5	-38.1	179.9	-65.7	-71.5	179.7	59.6	-2.4	113.4	G218 D219 S220 R226 Y306 D335	G218-R222 VanDerWaalsContact O-CG 3.31Å; G218-R222 WeakPolarHBondContact O-CG 3.34Å; G218-R222 PolarHBondContact O-N 2.86Å; D219-R222 WeakPolarHBondContact O-CB 3.41Å; D219-R222 PolarHBondContact O-N 2.7Å; D219-R222 VanDerWaalsContact O-N 3.14Å; S220-R222 PolarHBondContact O-N 2.98Å; R222-R226 VanDerWaalsContact O-CB 3.28Å; R222-R226 WeakPolarHBondContact O-CB 3.5Å; R222-R226 WeakPolarHBondContact O-CG 3.15Å; R222-R226 PolarHBondContact O-N 3.33Å; R222-Y306 HydrophobicContact CG-CD1 3.99Å; R222-Y306 PolarHBondContact NH2-O 2.74Å; R222-D335 IonicContact CZ-OD2 2.64Å; R222-D335 IonicContact NE-OD2 2.94Å; R222-D335 VanDerWaalsContact NH2-CG 3.25Å; R222-D335 IonicContact NH2-OD1 2.8Å; R222-D335 PolarHBondContact NH2-OD1 3.33Å; R222-D335 IonicContact NH2-OD2 3.46Å; R222-D335 PolarHBondContact NH2-OD2 3.18Å
223	F	98.8	Very high	98.7	Very high	53 Å²	53	25 Å²	25	23%	0.232	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-47	173.7	-72.4	-52.8	0	0	0	111	H204 D219 S220 R226 G227 D228 M232	H204-F223 HydrophobicContact CB-CE2 4.21Å; D219-F223 HydrophobicContact CB-CE2 4.36Å; D219-F223 WeakPolarHBondContact O-CD2 3.38Å; D219-F223 PolarHBondContact O-N 3.27Å; S220-F223 PolarHBondContact O-N 2.96Å; F223-R226 PolarHBondContact O-N 2.83Å; F223-G227 PolarHBondContact O-N 3.36Å; F223-D228 HydrophobicContact CB-CB 4.15Å; F223-D228 HydrophobicContact CD1-CB 4.08Å; F223-D228 WeakPolarHBondContact O-CB 3.46Å; F223-D228 PolarHBondContact O-N 2.86Å; F223-M232 HydrophobicContact CD2-CE 3.97Å
224	I	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-49.2	178.5	-61.8	166.6	0	0	0	110.7	R43 V45 S220 F221 R226 G227 A229 M232 L286 E288	R43-I224 PolarHBondContact NE-O 3.27Å; R43-I224 PolarHBondContact NH2-O 3.1Å; V45-I224 HydrophobicContact CG1-CB 4.26Å; V45-I224 HydrophobicContact CG1-CD1 3.83Å; V45-I224 HydrophobicContact CG1-CG2 4.23Å; V45-I224 HydrophobicContact CG2-CB 3.89Å; V45-I224 HydrophobicContact CG2-CG2 3.71Å; S220-I224 WeakPolarHBondContact O-CG1 2.96Å; S220-I224 PolarHBondContact O-N 2.94Å; F221-I224 PolarHBondContact O-N 3.07Å; I224-R226 PolarHBondContact O-N 3.01Å; I224-R226 VanDerWaalsContact O-N 3.08Å; I224-G227 PolarHBondContact O-N 2.85Å; I224-A229 VanDerWaalsContact CA-O 3.3Å; I224-A229 WeakPolarHBondContact CA-O 3.35Å; I224-A229 HydrophobicContact CG1-CB 4.5Å; I224-M232 HydrophobicContact CD1-CB 3.88Å; I224-M232 HydrophobicContact CD1-CG 3.74Å; I224-M232 HydrophobicContact CG1-CB 4.35Å; I224-M232 HydrophobicContact CG1-CG 3.64Å; I224-L286 HydrophobicContact CD1-CB 3.63Å; I224-L286 WeakPolarHBondContact CD1-O 3.49Å; I224-E288 HydrophobicContact CG2-CB 3.76Å; I224-E288 HydrophobicContact CG2-CG 4.34Å
225	A	98.5	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-28.5	-177.8	0	0	0	0	0	113.3	H42 R43 V45 F221	H42-A225 WeakPolarHBondContact CE1-CB 3.39Å; H42-A225 WeakPolarHBondContact NE2-CB 3.28Å; R43-A225 PolarHBondContact N-O 3.34Å; V45-A225 HydrophobicContact CG2-CB 4.17Å; F221-A225 HydrophobicContact CE2-CB 4.44Å; F221-A225 VanDerWaalsContact O-CB 3.23Å; F221-A225 WeakPolarHBondContact O-CB 3.33Å; F221-A225 PolarHBondContact O-N 2.84Å
226	R	97.8	Very high	98.7	Very high	179 Å²	179	24.5 Å²	24.5	68%	0.675	12%	0.122	S	C	*	.	H	α-helix	trans	-90.6	-7.4	179.5	-71	177.5	177.8	-169.3	0.9	115.4	R222 F223 I224	R222-R226 VanDerWaalsContact O-CB 3.28Å; R222-R226 WeakPolarHBondContact O-CB 3.5Å; R222-R226 WeakPolarHBondContact O-CG 3.15Å; R222-R226 PolarHBondContact O-N 3.33Å; F223-R226 PolarHBondContact O-N 2.83Å; I224-R226 PolarHBondContact O-N 3.01Å; I224-R226 VanDerWaalsContact O-N 3.08Å
227	G	97.6	Very high	98.7	Very high	46 Å²	46	24.4 Å²	24.4	47%	0.474	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	5.4	179.9	0	0	0	0	0	115.5	R43 F223 I224	R43-G227 VanDerWaalsContact NH2-CA 3.3Å; F223-G227 PolarHBondContact O-N 3.36Å; I224-G227 PolarHBondContact O-N 2.85Å
228	D	98.6	Very high	98.7	Very high	90 Å²	90	24.5 Å²	24.5	48%	0.481	12%	0.122	S	C	.	.	S	Bend	trans	-78.5	-22.8	-175.1	-59.1	-66.5	0	0	0	113.1	P202 F223	P202-D228 HydrophobicContact CG-CB 4.27Å; F223-D228 HydrophobicContact CB-CB 4.15Å; F223-D228 HydrophobicContact CD1-CB 4.08Å; F223-D228 WeakPolarHBondContact O-CB 3.46Å; F223-D228 PolarHBondContact O-N 2.86Å
229	A	98.8	Very high	98.6	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.025	13%	0.127	C	C	.	.			trans	-154.7	153.4	176.6	0	0	0	0	0	110.3	R43 P202 I224 M232	R43-A229 PolarHBondContact NH2-O 3.47Å; P202-A229 HydrophobicContact CG-CB 4.2Å; I224-A229 VanDerWaalsContact CA-O 3.3Å; I224-A229 WeakPolarHBondContact CA-O 3.35Å; I224-A229 HydrophobicContact CG1-CB 4.5Å; A229-M232 HydrophobicContact CB-CG 4.09Å; A229-M232 HydrophobicContact CB-SD 3.73Å
230	D	98.9	Very high	98.3	Very high	47 Å²	47	23.9 Å²	23.9	25%	0.251	12%	0.121	S	C	.	.	S	Bend	trans	-94	-27.8	171.2	-63.5	-25	0	0	0	111.4	R43 A146 E287 E288	R43-D230 IonicContact CZ-OD1 3.44Å; R43-D230 IonicContact NH1-OD1 2.7Å; R43-D230 PolarHBondContact NH1-OD1 3.01Å; R43-D230 IonicContact NH2-OD1 3.56Å; R43-D230 PolarHBondContact NH2-OD1 3.06Å; A146-D230 HydrophobicContact CB-CB 4.23Å; A146-D230 PolarHBondContact O-N 2.82Å; D230-E287 CarbonylContact O-C 3.49Å; D230-E287 WeakPolarHBondContact O-CA 3.32Å; D230-E288 PolarHBondContact O-N 3.29Å
231	V	98.9	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139	177.4	-169.9	0	0	0	0	109.9	W136 A146 T147 G148 V285 L286 E287	W136-V231 HydrophobicContact CD2-CG2 4.27Å; W136-V231 HydrophobicContact CG-CG1 4.37Å; W136-V231 HydrophobicContact CZ2-CG2 3.82Å; A146-V231 PolarHBondContact O-N 2.92Å; A146-V231 VanDerWaalsContact O-N 3.14Å; T147-V231 CarbonylContact C-O 3.55Å; T147-V231 VanDerWaalsContact CA-O 3.29Å; T147-V231 WeakPolarHBondContact CA-O 3.43Å; T147-V231 HydrophobicContact CG2-CB 3.9Å; T147-V231 HydrophobicContact CG2-CG1 4.02Å; G148-V231 PolarHBondContact N-O 3.25Å; V231-V285 HydrophobicContact CG1-CG1 3.58Å; V231-L286 CarbonylContact C-O 3.54Å; V231-L286 WeakPolarHBondContact CA-O 3.45Å; V231-E287 HydrophobicContact CG2-CG 4.1Å
232	M	98.9	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.5	172.9	-70.3	-67.8	-64.3	0	0	110.6	G148 A150 P202 F223 I224 A229 A234 L286	G148-M232 VanDerWaalsContact CA-SD 3.5Å; A150-M232 HydrophobicContact CB-CE 3.79Å; P202-M232 HydrophobicContact CB-CE 4.48Å; P202-M232 HydrophobicContact CB-SD 4.4Å; P202-M232 HydrophobicContact CG-SD 4.47Å; F223-M232 HydrophobicContact CD2-CE 3.97Å; I224-M232 HydrophobicContact CD1-CB 3.88Å; I224-M232 HydrophobicContact CD1-CG 3.74Å; I224-M232 HydrophobicContact CG1-CB 4.35Å; I224-M232 HydrophobicContact CG1-CG 3.64Å; A229-M232 HydrophobicContact CB-CG 4.09Å; A229-M232 HydrophobicContact CB-SD 3.73Å; M232-A234 PolarHBondContact O-N 3.37Å; M232-L286 HydrophobicContact CB-CB 4.47Å; M232-L286 PolarHBondContact N-O 3.31Å; M232-L286 PolarHBondContact O-N 2.98Å
233	V	98.9	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	101.3	167.6	-178.1	0	0	0	0	108	A127 L131 T147 G148 V149 A150 I151 V193 L199 V283	A127-V233 HydrophobicContact CB-CG1 4.02Å; L131-V233 HydrophobicContact CD1-CG2 4.48Å; L131-V233 HydrophobicContact CD2-CG2 3.76Å; L131-V233 HydrophobicContact CG-CG2 4.24Å; T147-V233 HydrophobicContact CG2-CG2 4.49Å; G148-V233 PolarHBondContact O-N 3.05Å; V149-V233 WeakPolarHBondContact CA-O 3.22Å; V149-V233 HydrophobicContact CG2-CB 4.4Å; A150-V233 PolarHBondContact N-O 3.14Å; I151-V233 HydrophobicContact CD1-CG1 4.39Å; V193-V233 HydrophobicContact CG1-CG1 4.05Å; L199-V233 HydrophobicContact CD1-CB 4.2Å; L199-V233 HydrophobicContact CD1-CG2 3.6Å; V233-V283 HydrophobicContact CG1-CG1 3.4Å
234	A	98.9	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.2	-164.2	0	0	0	0	0	112.7	A150 V217 S220 M232 V283 L284 L286	A150-A234 CarbonylContact O-C 3.52Å; A150-A234 VanDerWaalsContact O-CA 3.25Å; A150-A234 WeakPolarHBondContact O-CA 3.35Å; V217-A234 HydrophobicContact CG2-CB 4.39Å; S220-A234 WeakPolarHBondContact OG-CB 3.34Å; M232-A234 PolarHBondContact O-N 3.37Å; A234-V283 CarbonylContact O-C 3.58Å; A234-V283 WeakPolarHBondContact O-CA 3.29Å; A234-L284 PolarHBondContact N-O 3.34Å; A234-L284 PolarHBondContact O-N 2.98Å; A234-L286 HydrophobicContact CB-CD1 4.2Å
235	G	98.8	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-155.5	175	0	0	0	0	0	115.6	A150 I151 G152 A216 A282	A150-G235 PolarHBondContact O-N 2.91Å; I151-G235 WeakPolarHBondContact CA-O 3.48Å; G152-G235 PolarHBondContact N-O 2.77Å; A216-G235 WeakPolarHBondContact CB-O 3.47Å; G235-A282 VanDerWaalsContact CA-O 3.28Å; G235-A282 WeakPolarHBondContact CA-O 3.25Å
236	G	98.9	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.6	-178.2	0	0	0	0	0	112.6	G152 A281 A282 A390	G152-G236 WeakPolarHBondContact O-CA 3.31Å; G236-A281 WeakPolarHBondContact O-CA 3.24Å; G236-A282 PolarHBondContact N-O 3.21Å; G236-A282 PolarHBondContact O-N 2.75Å; G236-A390 WeakPolarHBondContact O-CB 3.35Å
237	T	98.9	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.2	176.6	-176.6	0	0	0	0	111	P119 A123 I151 G152 M153 A189 G280	P119-T237 VanDerWaalsContact C-OG1 3.29Å; P119-T237 VanDerWaalsContact CA-OG1 3.32Å; P119-T237 WeakPolarHBondContact CA-OG1 3.45Å; P119-T237 HydrophobicContact CB-CG2 3.99Å; P119-T237 WeakPolarHBondContact CB-OG1 3.36Å; P119-T237 WeakPolarHBondContact O-CB 3.25Å; P119-T237 WeakPolarHBondContact O-CG2 3.2Å; P119-T237 PolarHBondContact O-OG1 3.38Å; A123-T237 HydrophobicContact CB-CG2 3.86Å; I151-T237 HydrophobicContact CG2-CG2 4.25Å; G152-T237 PolarHBondContact O-N 2.91Å; M153-T237 WeakPolarHBondContact CA-O 3.38Å; M153-T237 HydrophobicContact CB-CG2 4.32Å; M153-T237 HydrophobicContact CE-CG2 3.93Å; M153-T237 HydrophobicContact CG-CG2 4.38Å; M153-T237 WeakPolarHBondContact CG-O 3.15Å; A189-T237 HydrophobicContact CB-CG2 3.78Å; T237-G280 WeakPolarHBondContact CA-O 3.4Å
238	D	98.6	Very high	98.2	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	138.1	166.5	-102.7	-56.3	0	0	0	110	G154 M155 E279 G280 L388 G389	G154-D238 WeakPolarHBondContact CA-OD2 3.5Å; G154-D238 PolarHBondContact N-OD2 2.79Å; M155-D238 PolarHBondContact N-OD1 2.88Å; D238-E279 CarbonylContact O-C 3.44Å; D238-E279 WeakPolarHBondContact O-CA 3.27Å; D238-E279 WeakPolarHBondContact O-CB 3.44Å; D238-G280 PolarHBondContact N-O 3.02Å; D238-G280 PolarHBondContact O-N 2.89Å; D238-L388 HydrophobicContact CB-CB 4.08Å; D238-G389 WeakPolarHBondContact OD2-CA 3.14Å; D238-G389 PolarHBondContact OD2-N 2.81Å
239	S	96.8	Very high	98.2	Very high	14 Å²	14	16 Å²	16	10%	0.098	10%	0.104	C	C	.	.			trans	-152.4	83.2	173.9	171.6	0	0	0	0	107.7	S118 E279	S118-S239 WeakPolarHBondContact CB-OG 3.3Å; S118-S239 WeakPolarHBondContact OG-CB 3.38Å; S118-S239 PolarHBondContact OG-OG 2.97Å; S239-E279 WeakPolarHBondContact CB-OE2 3.24Å; S239-E279 PolarHBondContact OG-OE2 2.91Å
240	C	91.4	Very high	98.1	Very high	10 Å²	10	16.8 Å²	16.8	7%	0.068	11%	0.109	C	C	.	.			trans	-131.5	21.4	-173.9	64.2	0	0	0	0	112.4	S242 S245 L388	C240-S242 PolarHBondContact O-N 2.87Å; C240-S242 VanDerWaalsContact O-N 3.11Å; C240-S245 WeakPolarHBondContact O-CB 3.34Å; C240-S245 PolarHBondContact O-OG 2.76Å; C240-L388 WeakPolarHBondContact SG-CD1 3.5Å
241	I	98.2	Very high	98.1	Very high	21 Å²	21	24.9 Å²	24.9	11%	0.108	14%	0.136	C	C	.	.			trans	-67.9	111	174.8	-56.6	165.7	0	0	0	108.7	A90 Y92 L246 M277 E279	A90-I241 HydrophobicContact CB-CD1 4.14Å; A90-I241 HydrophobicContact CB-CG2 4.07Å; Y92-I241 HydrophobicContact CD1-CD1 3.67Å; Y92-I241 HydrophobicContact CE1-CB 3.83Å; Y92-I241 HydrophobicContact CE1-CD1 3.65Å; Y92-I241 HydrophobicContact CE1-CG1 4.36Å; Y92-I241 HydrophobicContact CE1-CG2 3.6Å; Y92-I241 HydrophobicContact CG-CD1 4.32Å; Y92-I241 VanDerWaalsContact OH-CG2 3.27Å; Y92-I241 WeakPolarHBondContact OH-CG2 3.45Å; I241-L246 HydrophobicContact CG2-CD1 4.21Å; I241-M277 HydrophobicContact CG1-CG 4.07Å; I241-M277 HydrophobicContact CG1-SD 4.01Å; I241-E279 HydrophobicContact CD1-CB 3.92Å; I241-E279 HydrophobicContact CD1-CG 3.72Å; I241-E279 HydrophobicContact CG1-CB 4.38Å
242	S	98.2	Very high	98	Very high	5 Å²	5	27.2 Å²	27.2	4%	0.035	16%	0.155	C	C	.	.	S	Bend	trans	-155	166.5	178.7	84.2	0	0	0	0	110.7	E159 C240 L244 S245 L246	E159-S242 VanDerWaalsContact CD-CB 3.5Å; E159-S242 VanDerWaalsContact CG-CB 3.48Å; E159-S242 WeakPolarHBondContact OE1-CB 3.28Å; E159-S242 PolarHBondContact OE1-OG 3.05Å; C240-S242 PolarHBondContact O-N 2.87Å; C240-S242 VanDerWaalsContact O-N 3.11Å; S242-L244 PolarHBondContact O-N 2.67Å; S242-L244 PolarHBondContact OG-N 3.35Å; S242-S245 PolarHBondContact N-OG 3.3Å; S242-S245 PolarHBondContact O-N 2.97Å; S242-S245 PolarHBondContact O-OG 3.15Å; S242-S245 VanDerWaalsContact O-OG 3.08Å; S242-S245 PolarHBondContact OG-N 3.44Å; S242-L246 WeakPolarHBondContact O-CB 3.25Å; S242-L246 VanDerWaalsContact O-CG 3.3Å; S242-L246 WeakPolarHBondContact O-CG 3.37Å; S242-L246 PolarHBondContact O-N 3.35Å
243	P	98.1	Very high	97.9	Very high	39 Å²	39	38.1 Å²	38.1	25%	0.253	20%	0.196	S	C	.	.	H	α-helix	trans	-55.8	-40.3	175.9	-26.9	35.7	0	0	0	112.6	E81 Y82 I85 A247	E81-P243 HydrophobicContact CB-CG 4.01Å; E81-P243 HydrophobicContact CG-CG 3.68Å; Y82-P243 HydrophobicContact CD1-CB 4.5Å; Y82-P243 HydrophobicContact CD1-CG 4.22Å; Y82-P243 HydrophobicContact CE1-CB 4.35Å; Y82-P243 HydrophobicContact CE1-CG 3.75Å; I85-P243 HydrophobicContact CD1-CB 4.19Å; I85-P243 VanDerWaalsContact CD1-O 3.25Å; I85-P243 WeakPolarHBondContact CD1-O 3.39Å; P243-A247 WeakPolarHBondContact O-CB 3.29Å; P243-A247 PolarHBondContact O-N 3.39Å
244	L	98.1	Very high	97.8	Very high	93 Å²	93	38.5 Å²	38.5	49%	0.487	20%	0.2	S	C	.	.	H	α-helix	trans	-69	-45.3	-178.3	-179.5	58.5	0	0	0	112.4	L158 S242 A247 G248	L158-L244 HydrophobicContact CB-CD2 4.44Å; S242-L244 PolarHBondContact O-N 2.67Å; S242-L244 PolarHBondContact OG-N 3.35Å; L244-A247 PolarHBondContact O-N 3.2Å; L244-G248 PolarHBondContact O-N 3.3Å
245	S	98	Very high	97.8	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-44.3	178.8	63.9	0	0	0	0	111.4	C240 S242 A247 G248 F249	C240-S245 WeakPolarHBondContact O-CB 3.34Å; C240-S245 PolarHBondContact O-OG 2.76Å; S242-S245 PolarHBondContact N-OG 3.3Å; S242-S245 PolarHBondContact O-N 2.97Å; S242-S245 PolarHBondContact O-OG 3.15Å; S242-S245 VanDerWaalsContact O-OG 3.08Å; S242-S245 PolarHBondContact OG-N 3.44Å; S245-A247 VanDerWaalsContact C-N 3.33Å; S245-A247 PolarHBondContact O-N 3.24Å; S245-G248 PolarHBondContact O-N 3.14Å; S245-G248 VanDerWaalsContact O-N 3.15Å; S245-F249 WeakPolarHBondContact O-CD2 3.44Å; S245-F249 PolarHBondContact O-N 3.49Å
246	L	98.6	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-38.8	177.2	-69.7	174.6	0	0	0	111.8	L77 Y82 I85 I241 S242 S250 L255 M277	L77-L246 HydrophobicContact CD1-CD1 3.56Å; L77-L246 HydrophobicContact CD2-CD1 4.09Å; Y82-L246 HydrophobicContact CD1-CD1 3.7Å; Y82-L246 HydrophobicContact CE1-CD1 3.57Å; I85-L246 HydrophobicContact CD1-CB 4.16Å; I85-L246 HydrophobicContact CG2-CB 4.15Å; I241-L246 HydrophobicContact CG2-CD1 4.21Å; S242-L246 WeakPolarHBondContact O-CB 3.25Å; S242-L246 VanDerWaalsContact O-CG 3.3Å; S242-L246 WeakPolarHBondContact O-CG 3.37Å; S242-L246 PolarHBondContact O-N 3.35Å; L246-S250 WeakPolarHBondContact O-CB 3.26Å; L246-S250 PolarHBondContact O-N 3.13Å; L246-S250 PolarHBondContact O-OG 3.25Å; L246-L255 HydrophobicContact CB-CD1 4.41Å; L246-L255 HydrophobicContact CD2-CD1 3.66Å; L246-M277 HydrophobicContact CD2-CB 4.24Å; L246-M277 HydrophobicContact CD2-CE 4.28Å; L246-M277 HydrophobicContact CD2-SD 4.07Å
247	A	98.5	Very high	97.8	Very high	34 Å²	34	43 Å²	43	28%	0.281	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-47.6	171.8	0	0	0	0	0	111.1	I85 P243 L244 S245 S250 R251	I85-A247 HydrophobicContact CD1-CB 4.31Å; I85-A247 HydrophobicContact CG1-CB 4.4Å; P243-A247 WeakPolarHBondContact O-CB 3.29Å; P243-A247 PolarHBondContact O-N 3.39Å; L244-A247 PolarHBondContact O-N 3.2Å; S245-A247 VanDerWaalsContact C-N 3.33Å; S245-A247 PolarHBondContact O-N 3.24Å; A247-S250 PolarHBondContact O-N 3.01Å; A247-R251 WeakPolarHBondContact O-CB 3.34Å; A247-R251 WeakPolarHBondContact O-CG 3.46Å; A247-R251 PolarHBondContact O-N 3.04Å
248	G	98.3	Very high	97.8	Very high	43 Å²	43	45.2 Å²	45.2	44%	0.443	24%	0.239	S	C	.	.	H	α-helix	trans	-56.5	-53.2	178.2	0	0	0	0	0	113	L244 S245 R251 A252	L244-G248 PolarHBondContact O-N 3.3Å; S245-G248 PolarHBondContact O-N 3.14Å; S245-G248 VanDerWaalsContact O-N 3.15Å; G248-R251 PolarHBondContact O-N 2.93Å; G248-A252 PolarHBondContact O-N 3.4Å
249	F	98.4	Very high	97.7	Very high	24 Å²	24	48.9 Å²	48.9	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-69.8	-32	178.9	-78.7	-81.9	0	0	0	113.2	M155 S245 R251 A252 R253 A254 L255 F275 M277 L388 F448	M155-F249 HydrophobicContact CE-CE2 3.46Å; M155-F249 VanDerWaalsContact CE-CE2 3.46Å; M155-F249 HydrophobicContact CE-CZ 3.6Å; S245-F249 WeakPolarHBondContact O-CD2 3.44Å; S245-F249 PolarHBondContact O-N 3.49Å; F249-R251 VanDerWaalsContact C-N 3.35Å; F249-A252 CarbonylContact O-C 3.56Å; F249-A252 PolarHBondContact O-N 2.88Å; F249-R253 PolarHBondContact O-N 2.94Å; F249-A254 HydrophobicContact CD1-CB 4.2Å; F249-A254 PolarHBondContact O-N 2.86Å; F249-L255 HydrophobicContact CB-CD1 3.84Å; F249-L255 HydrophobicContact CB-CD2 3.87Å; F249-L255 HydrophobicContact CB-CG 3.65Å; F249-F275 HydrophobicContact CD1-CE1 4.07Å; F249-F275 AromaticContact CD1-CZ 3.67Å; F249-F275 HydrophobicContact CD1-CZ 3.67Å; F249-F275 HydrophobicContact CE1-CE1 4.4Å; F249-F275 AromaticContact CE1-CZ 3.94Å; F249-F275 HydrophobicContact CE1-CZ 3.94Å; F249-F275 HydrophobicContact CG-CZ 4.19Å; F249-M277 HydrophobicContact CB-CE 4.28Å; F249-M277 HydrophobicContact CD2-CE 3.19Å; F249-M277 HydrophobicContact CE2-CE 3.53Å; F249-M277 HydrophobicContact CG-CE 3.89Å; F249-M277 HydrophobicContact CZ-CE 4.48Å; F249-L388 HydrophobicContact CZ-CD2 4.19Å; F249-F448 HydrophobicContact CD1-CE2 4.17Å; F249-F448 HydrophobicContact CE1-CD2 4.46Å; F249-F448 AromaticContact CE1-CE2 3.85Å; F249-F448 HydrophobicContact CE1-CE2 3.85Å; F249-F448 HydrophobicContact CE1-CZ 4.43Å
250	S	98.3	Very high	97.8	Very high	18 Å²	18	51.1 Å²	51.1	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-40	171.5	-63.2	0	0	0	0	111.5	I85 L246 A247 A252 R253	I85-S250 WeakPolarHBondContact CG2-OG 3.41Å; L246-S250 WeakPolarHBondContact O-CB 3.26Å; L246-S250 PolarHBondContact O-N 3.13Å; L246-S250 PolarHBondContact O-OG 3.25Å; A247-S250 PolarHBondContact O-N 3.01Å; S250-A252 VanDerWaalsContact C-N 3.3Å; S250-A252 PolarHBondContact O-N 3.18Å; S250-R253 WeakPolarHBondContact O-CA 3.4Å; S250-R253 PolarHBondContact O-N 2.9Å
251	R	97.9	Very high	98.1	Very high	217 Å²	217	51.9 Å²	51.9	82%	0.819	28%	0.281	S	S	*	.	H	α-helix	trans	-67.5	-32.3	176.1	-71.8	-64.6	-61.9	166	-1.5	112.3	A247 G248 F249 R253	A247-R251 WeakPolarHBondContact O-CB 3.34Å; A247-R251 WeakPolarHBondContact O-CG 3.46Å; A247-R251 PolarHBondContact O-N 3.04Å; G248-R251 PolarHBondContact O-N 2.93Å; F249-R251 VanDerWaalsContact C-N 3.35Å; R251-R253 PolarHBondContact O-N 3.33Å
252	A	96.2	Very high	98.1	Very high	50 Å²	50	58.6 Å²	58.6	41%	0.413	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-1.8	169.5	0	0	0	0	0	113.6	G248 F249 S250 A254	G248-A252 PolarHBondContact O-N 3.4Å; F249-A252 CarbonylContact O-C 3.56Å; F249-A252 PolarHBondContact O-N 2.88Å; S250-A252 VanDerWaalsContact C-N 3.3Å; S250-A252 PolarHBondContact O-N 3.18Å; A252-A254 PolarHBondContact O-N 2.78Å
253	R	97.1	Very high	98.1	Very high	228 Å²	228	61.8 Å²	61.8	86%	0.86	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	36.2	-177.3	-57.7	-176.9	173.9	-173.3	-2.3	113.4	F249 S250 R251	F249-R253 PolarHBondContact O-N 2.94Å; S250-R253 WeakPolarHBondContact O-CA 3.4Å; S250-R253 PolarHBondContact O-N 2.9Å; R251-R253 PolarHBondContact O-N 3.33Å
254	A	97.7	Very high	98.1	Very high	9 Å²	9	59.9 Å²	59.9	7%	0.074	31%	0.313	C	S	.	.			trans	-98.3	-24.4	-177.5	0	0	0	0	0	113.2	F249 A252 G274 F275 F448	F249-A254 HydrophobicContact CD1-CB 4.2Å; F249-A254 PolarHBondContact O-N 2.86Å; A252-A254 PolarHBondContact O-N 2.78Å; A254-G274 CarbonylContact O-C 3.58Å; A254-G274 WeakPolarHBondContact O-CA 3.5Å; A254-F275 HydrophobicContact CB-CD1 4.07Å; A254-F275 HydrophobicContact CB-CE1 3.53Å; A254-F275 HydrophobicContact CB-CZ 4.42Å; A254-F275 WeakPolarHBondContact O-CD1 3.29Å; A254-F275 PolarHBondContact O-N 2.75Å; A254-F448 HydrophobicContact CB-CZ 3.93Å
255	L	98.7	Very high	98.2	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-90.1	145.9	-177	-56.7	-176.1	0	0	0	112.7	C87 L246 F249 F275 M277	C87-L255 HydrophobicContact CB-CB 3.89Å; C87-L255 HydrophobicContact CB-CD1 3.75Å; C87-L255 HydrophobicContact CB-CG 4.47Å; L246-L255 HydrophobicContact CB-CD1 4.41Å; L246-L255 HydrophobicContact CD2-CD1 3.66Å; F249-L255 HydrophobicContact CB-CD1 3.84Å; F249-L255 HydrophobicContact CB-CD2 3.87Å; F249-L255 HydrophobicContact CB-CG 3.65Å; L255-F275 CarbonylContact C-O 3.46Å; L255-F275 VanDerWaalsContact CA-O 3.27Å; L255-F275 WeakPolarHBondContact CA-O 3.14Å; L255-F275 HydrophobicContact CD2-CD1 4.4Å; L255-F275 HydrophobicContact CD2-CD2 3.69Å; L255-F275 HydrophobicContact CD2-CE1 4.03Å; L255-F275 HydrophobicContact CD2-CE2 3.22Å; L255-F275 HydrophobicContact CD2-CG 4.25Å; L255-F275 HydrophobicContact CD2-CZ 3.42Å; L255-F275 VanDerWaalsContact CD2-CZ 3.42Å; L255-M277 HydrophobicContact CD2-CB 4.31Å; L255-M277 HydrophobicContact CD2-CE 4.48Å
256	S	98.8	Very high	98.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.			trans	-56.4	139.7	168	153.2	0	0	0	0	110.4	N258 D273 G274 F275	S256-N258 PolarHBondContact OG-N 2.84Å; S256-N258 VanDerWaalsContact OG-N 3.1Å; S256-D273 WeakPolarHBondContact CA-OD1 3.39Å; S256-D273 VanDerWaalsContact CB-OD1 3.23Å; S256-D273 WeakPolarHBondContact CB-OD1 3.29Å; S256-D273 PolarHBondContact OG-OD1 3.12Å; S256-G274 WeakPolarHBondContact CB-O 3.47Å; S256-F275 PolarHBondContact N-O 3.19Å
257	T	98.6	Very high	98.2	Very high	89 Å²	89	56.1 Å²	56.1	55%	0.546	29%	0.292	S	S	.	.			trans	-100	-4	173	58.2	0	0	0	0	112.4	P86 S259 D273	P86-T257 HydrophobicContact CB-CG2 4.11Å; T257-S259 PolarHBondContact O-N 3.3Å; T257-D273 PolarHBondContact N-OD2 3.1Å; T257-D273 PolarHBondContact OG1-OD2 3.06Å
258	N	98.3	Very high	98.2	Very high	46 Å²	46	54.5 Å²	54.5	25%	0.246	28%	0.279	C	S	.	.			trans	-67.1	130.3	173.4	-159	-57.5	0	0	0	111.2	S256 D260 A264 R266 D273	S256-N258 PolarHBondContact OG-N 2.84Å; S256-N258 VanDerWaalsContact OG-N 3.1Å; N258-D260 WeakPolarHBondContact OD1-CB 3.36Å; N258-D260 PolarHBondContact OD1-N 3.14Å; N258-A264 HydrophobicContact CB-CB 4.24Å; N258-R266 PolarHBondContact ND2-NH2 3.32Å; N258-D273 PolarHBondContact N-OD2 3.24Å
259	S	97.8	Very high	98.3	Very high	78 Å²	78	52.8 Å²	52.8	55%	0.545	26%	0.259	S	S	.	.			trans	-88.8	-12.7	-178.7	55.4	0	0	0	0	114.4	T257 P261	T257-S259 PolarHBondContact O-N 3.3Å; S259-P261 VanDerWaalsContact O-CD 3.24Å; S259-P261 WeakPolarHBondContact O-CD 3.27Å
260	D	98.6	Very high	98.3	Very high	60 Å²	60	54.1 Å²	54.1	32%	0.321	27%	0.27	S	S	.	.			trans	-82.2	108.5	175.3	-174.1	-11.2	0	0	0	109.7	N258 K262 L263 A264	N258-D260 WeakPolarHBondContact OD1-CB 3.36Å; N258-D260 PolarHBondContact OD1-N 3.14Å; D260-K262 PolarHBondContact O-N 2.88Å; D260-K262 VanDerWaalsContact O-N 3.13Å; D260-K262 VanDerWaalsContact OD1-CB 3.31Å; D260-K262 WeakPolarHBondContact OD1-CB 3.38Å; D260-K262 PolarHBondContact OD1-N 2.84Å; D260-L263 HydrophobicContact CB-CB 4.36Å; D260-L263 PolarHBondContact O-N 3.02Å; D260-A264 WeakPolarHBondContact O-CB 3.37Å; D260-A264 PolarHBondContact O-N 3.35Å
261	P	98.3	Very high	98.3	Very high	27 Å²	27	60.5 Å²	60.5	18%	0.175	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.4	-179.5	26.7	-35.2	0	0	0	112.8	I74 S76 V89 S259 L263	I74-P261 HydrophobicContact CG2-CB 3.82Å; I74-P261 WeakPolarHBondContact CG2-O 3.32Å; S76-P261 WeakPolarHBondContact OG-CD 3.41Å; V89-P261 HydrophobicContact CG1-CB 3.93Å; S259-P261 VanDerWaalsContact O-CD 3.24Å; S259-P261 WeakPolarHBondContact O-CD 3.27Å; P261-L263 VanDerWaalsContact C-N 3.25Å; P261-L263 PolarHBondContact O-N 2.87Å
262	K	97.8	Very high	98.3	Very high	162 Å²	162	51.1 Å²	51.1	70%	0.704	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.7	177.5	-62.7	-178.4	179	178	0	112.5	D260 N413	D260-K262 PolarHBondContact O-N 2.88Å; D260-K262 VanDerWaalsContact O-N 3.13Å; D260-K262 VanDerWaalsContact OD1-CB 3.31Å; D260-K262 WeakPolarHBondContact OD1-CB 3.38Å; D260-K262 PolarHBondContact OD1-N 2.84Å; K262-N413 PolarHBondContact O-ND2 2.82Å; K262-N413 PolarHBondContact O-OD1 3.31Å
263	L	98.4	Very high	98.5	Very high	71 Å²	71	51.2 Å²	51.2	37%	0.372	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-13.5	-172.7	-61.1	177.9	0	0	0	113.2	D260 P261 C265 R266	D260-L263 HydrophobicContact CB-CB 4.36Å; D260-L263 PolarHBondContact O-N 3.02Å; P261-L263 VanDerWaalsContact C-N 3.25Å; P261-L263 PolarHBondContact O-N 2.87Å; L263-C265 PolarHBondContact O-N 3.4Å; L263-R266 PolarHBondContact O-NE 2.9Å; L263-R266 PolarHBondContact O-NH2 3.49Å
264	A	98.6	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-59.5	-43.8	-172.4	0	0	0	0	0	113.9	V89 N258 D260 V276	V89-A264 HydrophobicContact CG1-CB 4.46Å; V89-A264 HydrophobicContact CG2-CB 3.65Å; N258-A264 HydrophobicContact CB-CB 4.24Å; D260-A264 WeakPolarHBondContact O-CB 3.37Å; D260-A264 PolarHBondContact O-N 3.35Å; A264-V276 HydrophobicContact CB-CG2 3.66Å
265	C	98.8	Very high	98.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	21%	0.211	C	C	.	.			trans	-99.6	114.9	174.8	-166.6	0	0	0	0	110.3	I74 L263 V276 K381 N413	I74-C265 HydrophobicContact CD1-CB 3.36Å; L263-C265 PolarHBondContact O-N 3.4Å; C265-V276 HydrophobicContact CB-CB 4.25Å; C265-V276 HydrophobicContact CB-CG2 3.82Å; C265-K381 VanDerWaalsContact SG-C 3.52Å; C265-K381 PolarHBondContact SG-O 3.42Å; C265-N413 PolarHBondContact O-ND2 3.48Å
266	R	98.8	Very high	98.6	Very high	15 Å²	15	40 Å²	40	6%	0.057	21%	0.209	C	C	.	.			trans	-146.5	70.7	-175.8	52.2	178.1	120.5	-158.7	-6	110.3	N258 L263 F268 H269 K271 R272 S352 N413	N258-R266 PolarHBondContact ND2-NH2 3.32Å; L263-R266 PolarHBondContact O-NE 2.9Å; L263-R266 PolarHBondContact O-NH2 3.49Å; R266-F268 PolarHBondContact O-N 2.99Å; R266-H269 HydrophobicContact CB-CB 3.7Å; R266-H269 VanDerWaalsContact CD-ND1 3.25Å; R266-H269 WeakPolarHBondContact CD-ND1 3.14Å; R266-H269 HydrophobicContact CG-CB 3.82Å; R266-H269 WeakPolarHBondContact O-CB 3.08Å; R266-H269 PolarHBondContact O-N 3.01Å; R266-H269 VanDerWaalsContact O-N 3.12Å; R266-K271 PolarHBondContact NE-O 3.49Å; R266-R272 HydrophobicContact CG-CB 4.29Å; R266-S352 PolarHBondContact N-OG 3.17Å; R266-S352 PolarHBondContact O-OG 3.19Å; R266-N413 HydrophobicContact CB-CB 3.71Å
267	P	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	140	-178.8	-25.1	35.1	0	0	0	112.1	H269 A350 D357 S379 T411 L414	P267-H269 PolarHBondContact O-N 3.41Å; P267-H269 VanDerWaalsContact O-N 3.07Å; P267-A350 HydrophobicContact CB-CB 4.14Å; P267-D357 VanDerWaalsContact CA-OD2 3.26Å; P267-D357 WeakPolarHBondContact CA-OD2 3.32Å; P267-S379 WeakPolarHBondContact CG-OG 3.36Å; P267-T411 HydrophobicContact CB-CG2 4.01Å; P267-T411 HydrophobicContact CG-CG2 4.32Å; P267-L414 WeakPolarHBondContact O-CD1 3.38Å
268	F	98.9	Very high	98.6	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-4.4	-177.5	-41.5	-67.5	0	0	0	116.4	R266 A348 A350 D357 V377 T411 L414 F421 Y425	R266-F268 PolarHBondContact O-N 2.99Å; F268-A348 HydrophobicContact CZ-CB 3.78Å; F268-A350 HydrophobicContact CD1-CB 4.12Å; F268-A350 HydrophobicContact CE1-CB 3.3Å; F268-A350 HydrophobicContact CE2-CB 3.93Å; F268-A350 HydrophobicContact CZ-CB 3.19Å; F268-D357 HydrophobicContact CD1-CB 4.06Å; F268-D357 HydrophobicContact CE1-CB 4.42Å; F268-D357 PolarHBondContact N-OD2 3.01Å; F268-V377 HydrophobicContact CZ-CG1 4.22Å; F268-T411 HydrophobicContact CD2-CG2 4.11Å; F268-T411 HydrophobicContact CE2-CG2 4.44Å; F268-L414 HydrophobicContact CB-CD1 4.09Å; F268-L414 HydrophobicContact CB-CD2 4.23Å; F268-L414 HydrophobicContact CD2-CD2 4.35Å; F268-F421 HydrophobicContact CB-CD1 3.92Å; F268-F421 HydrophobicContact CB-CE1 4.26Å; F268-F421 HydrophobicContact CB-CG 4.39Å; F268-F421 AromaticContact CD1-CD1 3.86Å; F268-F421 HydrophobicContact CD1-CD1 3.86Å; F268-F421 AromaticContact CD1-CE1 3.76Å; F268-F421 HydrophobicContact CD1-CE1 3.76Å; F268-F421 HydrophobicContact CG-CD1 4.31Å; F268-Y425 HydrophobicContact CD1-CD1 4.23Å; F268-Y425 HydrophobicContact CD1-CE1 4.14Å; F268-Y425 AromaticContact CD2-CD1 3.68Å; F268-Y425 HydrophobicContact CD2-CD1 3.68Å; F268-Y425 HydrophobicContact CD2-CE1 4.38Å; F268-Y425 AromaticContact CD2-CG 3.98Å; F268-Y425 HydrophobicContact CD2-CG 3.98Å; F268-Y425 HydrophobicContact CE1-CD1 4.32Å; F268-Y425 HydrophobicContact CE1-CE1 4.28Å; F268-Y425 AromaticContact CE2-CD1 3.79Å; F268-Y425 HydrophobicContact CE2-CD1 3.79Å; F268-Y425 HydrophobicContact CE2-CG 4.42Å; F268-Y425 AromaticContact CG-CD1 3.9Å; F268-Y425 HydrophobicContact CG-CD1 3.9Å; F268-Y425 HydrophobicContact CG-CE1 4.18Å; F268-Y425 HydrophobicContact CG-CG 4.29Å; F268-Y425 HydrophobicContact CZ-CD1 4.1Å; F268-Y425 HydrophobicContact CZ-CE1 4.47Å
269	H	98.8	Very high	98.6	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.032	18%	0.175	C	C	.	.			trans	-75.4	147.4	-178.2	-176.6	-82.1	0	0	0	111.6	R266 P267 K271 R272 N413 L414 D415	R266-H269 HydrophobicContact CB-CB 3.7Å; R266-H269 VanDerWaalsContact CD-ND1 3.25Å; R266-H269 WeakPolarHBondContact CD-ND1 3.14Å; R266-H269 HydrophobicContact CG-CB 3.82Å; R266-H269 WeakPolarHBondContact O-CB 3.08Å; R266-H269 PolarHBondContact O-N 3.01Å; R266-H269 VanDerWaalsContact O-N 3.12Å; P267-H269 PolarHBondContact O-N 3.41Å; P267-H269 VanDerWaalsContact O-N 3.07Å; H269-K271 WeakPolarHBondContact ND1-CB 3.31Å; H269-K271 PolarHBondContact ND1-N 3.33Å; H269-K271 PolarHBondContact O-N 3.33Å; H269-K271 VanDerWaalsContact O-N 3.17Å; H269-R272 WeakPolarHBondContact O-CB 3.33Å; H269-R272 WeakPolarHBondContact O-CD 3.4Å; H269-R272 WeakPolarHBondContact O-CG 3.32Å; H269-R272 PolarHBondContact O-N 3.12Å; H269-R272 VanDerWaalsContact O-N 3.08Å; H269-R272 PolarHBondContact O-NH1 3.4Å; H269-N413 PolarHBondContact CD2-O 2.9Å; H269-L414 HydrophobicContact CB-CD1 3.88Å; H269-D415 IonicContact CD2-OD1 3.76Å; H269-D415 PolarHBondContact CD2-OD1 2.95Å; H269-D415 IonicContact NE2-OD1 2.65Å; H269-D415 PolarHBondContact NE2-OD1 3.38Å
270	P	98.8	Very high	98.7	Very high	52 Å²	52	30.5 Å²	30.5	34%	0.338	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31	-179.7	-23.8	29.1	0	0	0	114.9	C416 E418	P270-C416 VanDerWaalsContact CD-O 3.24Å; P270-C416 WeakPolarHBondContact CD-O 3.47Å; P270-E418 HydrophobicContact CB-CG 3.74Å; P270-E418 HydrophobicContact CG-CG 3.75Å
271	K	98.7	Very high	98.7	Very high	151 Å²	151	27.6 Å²	27.6	66%	0.657	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	14.9	178.7	-57.3	179.7	-179.3	171.5	0	114.9	R266 H269 D273	R266-K271 PolarHBondContact NE-O 3.49Å; H269-K271 WeakPolarHBondContact ND1-CB 3.31Å; H269-K271 PolarHBondContact ND1-N 3.33Å; H269-K271 PolarHBondContact O-N 3.33Å; H269-K271 VanDerWaalsContact O-N 3.17Å; K271-D273 PolarHBondContact O-N 3.22Å
272	R	98.8	Very high	98.7	Very high	21 Å²	21	26.3 Å²	26.3	8%	0.079	13%	0.125	C	C	.	.			trans	-63.8	131.2	175	72.7	-168.2	177.9	-75.4	-3.4	109.6	R266 H269 S352 T353 P354 D357 E418	R266-R272 HydrophobicContact CG-CB 4.29Å; H269-R272 WeakPolarHBondContact O-CB 3.33Å; H269-R272 WeakPolarHBondContact O-CD 3.4Å; H269-R272 WeakPolarHBondContact O-CG 3.32Å; H269-R272 PolarHBondContact O-N 3.12Å; H269-R272 VanDerWaalsContact O-N 3.08Å; H269-R272 PolarHBondContact O-NH1 3.4Å; R272-S352 WeakPolarHBondContact CB-O 3.47Å; R272-T353 WeakPolarHBondContact CD-O 3.26Å; R272-T353 PolarHBondContact NE-O 3.33Å; R272-T353 VanDerWaalsContact NE-O 3.14Å; R272-P354 PolarHBondContact NH2-O 3Å; R272-D357 WeakPolarHBondContact CD-OD2 3.39Å; R272-E418 IonicContact CZ-OE1 3.82Å; R272-E418 IonicContact NH1-OE1 2.86Å; R272-E418 PolarHBondContact NH1-OE1 3.44Å; R272-E418 IonicContact NH2-OE1 3.86Å
273	D	98.7	Very high	98.8	Very high	51 Å²	51	18.6 Å²	18.6	27%	0.273	9%	0.092	S	C	.	.			trans	-131.9	4.1	-172.5	71.7	-28.8	0	0	0	113.9	S256 T257 N258 K271	S256-D273 WeakPolarHBondContact CA-OD1 3.39Å; S256-D273 VanDerWaalsContact CB-OD1 3.23Å; S256-D273 WeakPolarHBondContact CB-OD1 3.29Å; S256-D273 PolarHBondContact OG-OD1 3.12Å; T257-D273 PolarHBondContact N-OD2 3.1Å; T257-D273 PolarHBondContact OG1-OD2 3.06Å; N258-D273 PolarHBondContact N-OD2 3.24Å; K271-D273 PolarHBondContact O-N 3.22Å
274	G	98.7	Very high	98.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	7%	0.074	C	C	.	.			trans	149	168.3	-178.2	0	0	0	0	0	112	A254 S256 S352	A254-G274 CarbonylContact O-C 3.58Å; A254-G274 WeakPolarHBondContact O-CA 3.5Å; S256-G274 WeakPolarHBondContact CB-O 3.47Å; G274-S352 CarbonylContact C-O 3.53Å; G274-S352 VanDerWaalsContact C-O 3.29Å; G274-S352 WeakPolarHBondContact CA-O 3.46Å; G274-S352 PolarHBondContact N-O 3.41Å; G274-S352 VanDerWaalsContact O-O 3.05Å
275	F	98.8	Very high	98.8	Very high	7 Å²	7	15.3 Å²	15.3	3%	0.031	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-82.9	159.3	178.9	77	-104.2	0	0	0	112.2	F249 A254 L255 S256 M277 T351 H386 L388	F249-F275 HydrophobicContact CD1-CE1 4.07Å; F249-F275 AromaticContact CD1-CZ 3.67Å; F249-F275 HydrophobicContact CD1-CZ 3.67Å; F249-F275 HydrophobicContact CE1-CE1 4.4Å; F249-F275 AromaticContact CE1-CZ 3.94Å; F249-F275 HydrophobicContact CE1-CZ 3.94Å; F249-F275 HydrophobicContact CG-CZ 4.19Å; A254-F275 HydrophobicContact CB-CD1 4.07Å; A254-F275 HydrophobicContact CB-CE1 3.53Å; A254-F275 HydrophobicContact CB-CZ 4.42Å; A254-F275 WeakPolarHBondContact O-CD1 3.29Å; A254-F275 PolarHBondContact O-N 2.75Å; L255-F275 CarbonylContact C-O 3.46Å; L255-F275 VanDerWaalsContact CA-O 3.27Å; L255-F275 WeakPolarHBondContact CA-O 3.14Å; L255-F275 HydrophobicContact CD2-CD1 4.4Å; L255-F275 HydrophobicContact CD2-CD2 3.69Å; L255-F275 HydrophobicContact CD2-CE1 4.03Å; L255-F275 HydrophobicContact CD2-CE2 3.22Å; L255-F275 HydrophobicContact CD2-CG 4.25Å; L255-F275 HydrophobicContact CD2-CZ 3.42Å; L255-F275 VanDerWaalsContact CD2-CZ 3.42Å; S256-F275 PolarHBondContact N-O 3.19Å; F275-M277 HydrophobicContact CE2-CB 4.04Å; F275-T351 WeakPolarHBondContact CA-O 3.41Å; F275-T351 WeakPolarHBondContact CB-O 3.31Å; F275-H386 HydrophobicContact CB-CB 4.32Å; F275-H386 HydrophobicContact CD2-CB 3.74Å; F275-H386 HydrophobicContact CE2-CB 4.37Å; F275-H386 HydrophobicContact CG-CB 4.27Å; F275-L388 HydrophobicContact CE2-CD2 4.23Å; F275-L388 HydrophobicContact CZ-CD2 4.23Å
276	V	98.9	Very high	98.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-103.3	120.2	169.7	176.8	0	0	0	0	108.8	I74 V89 A264 C265 G278 H386	I74-V276 HydrophobicContact CD1-CB 4.15Å; I74-V276 HydrophobicContact CD1-CG1 4.18Å; I74-V276 HydrophobicContact CD1-CG2 4.3Å; I74-V276 HydrophobicContact CG1-CG1 4.04Å; I74-V276 HydrophobicContact CG2-CG1 3.84Å; V89-V276 HydrophobicContact CB-CG1 4.46Å; V89-V276 HydrophobicContact CG2-CG1 4Å; V89-V276 HydrophobicContact CG2-CG2 3.8Å; A264-V276 HydrophobicContact CB-CG2 3.66Å; C265-V276 HydrophobicContact CB-CB 4.25Å; C265-V276 HydrophobicContact CB-CG2 3.82Å; V276-G278 PolarHBondContact O-N 3.19Å; V276-H386 PolarHBondContact O-N 3.43Å
277	M	98.8	Very high	98.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-68.1	132.5	-178.9	-173.5	-178.6	-69.4	0	0	110.8	A90 A91 I241 L246 F249 L255 F275 L388	A90-M277 CarbonylContact C-O 3.29Å; A90-M277 VanDerWaalsContact CA-O 3.29Å; A90-M277 WeakPolarHBondContact CA-O 3.48Å; A90-M277 WeakPolarHBondContact CB-O 3.38Å; A91-M277 PolarHBondContact N-O 3.22Å; I241-M277 HydrophobicContact CG1-CG 4.07Å; I241-M277 HydrophobicContact CG1-SD 4.01Å; L246-M277 HydrophobicContact CD2-CB 4.24Å; L246-M277 HydrophobicContact CD2-CE 4.28Å; L246-M277 HydrophobicContact CD2-SD 4.07Å; F249-M277 HydrophobicContact CB-CE 4.28Å; F249-M277 HydrophobicContact CD2-CE 3.19Å; F249-M277 HydrophobicContact CE2-CE 3.53Å; F249-M277 HydrophobicContact CG-CE 3.89Å; F249-M277 HydrophobicContact CZ-CE 4.48Å; L255-M277 HydrophobicContact CD2-CB 4.31Å; L255-M277 HydrophobicContact CD2-CE 4.48Å; F275-M277 HydrophobicContact CE2-CB 4.04Å; M277-L388 HydrophobicContact CE-CD1 4.44Å; M277-L388 HydrophobicContact CG-CD1 4.27Å; M277-L388 HydrophobicContact SD-CD1 4.41Å
278	G	98.8	Very high	98.8	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.01	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-123.9	170	171.5	0	0	0	0	0	112.5	A91 V276 H386	A91-G278 CarbonylContact O-C 3.55Å; A91-G278 WeakPolarHBondContact O-CA 3.31Å; V276-G278 PolarHBondContact O-N 3.19Å; G278-H386 PolarHBondContact N-O 2.97Å
279	E	98.8	Very high	98.8	Very high	12 Å²	12	17.9 Å²	17.9	6%	0.056	9%	0.085	C	C	.	.			trans	-127.1	155.5	174.1	60.7	172	-161.8	0	0	111.6	P55 A91 V93 R95 M122 D238 S239 I241	P55-E279 WeakPolarHBondContact CD-O 3.43Å; P55-E279 WeakPolarHBondContact CG-O 3.38Å; A91-E279 PolarHBondContact O-N 2.81Å; A91-E279 VanDerWaalsContact O-N 3.07Å; V93-E279 HydrophobicContact CG2-CG 4.2Å; V93-E279 WeakPolarHBondContact CG2-O 3.34Å; R95-E279 IonicContact NH2-OE1 3.17Å; M122-E279 HydrophobicContact CE-CG 4.27Å; D238-E279 CarbonylContact O-C 3.44Å; D238-E279 WeakPolarHBondContact O-CA 3.27Å; D238-E279 WeakPolarHBondContact O-CB 3.44Å; S239-E279 WeakPolarHBondContact CB-OE2 3.24Å; S239-E279 PolarHBondContact OG-OE2 2.91Å; I241-E279 HydrophobicContact CD1-CB 3.92Å; I241-E279 HydrophobicContact CD1-CG 3.72Å; I241-E279 HydrophobicContact CG1-CB 4.38Å
280	G	98.8	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-176.9	177.9	0	0	0	0	0	113.6	V53 T237 D238 A390	V53-G280 CarbonylContact O-C 3.48Å; V53-G280 WeakPolarHBondContact O-CA 3.23Å; T237-G280 WeakPolarHBondContact CA-O 3.4Å; D238-G280 PolarHBondContact N-O 3.02Å; D238-G280 PolarHBondContact O-N 2.89Å; G280-A390 WeakPolarHBondContact O-CB 3.44Å
281	A	98.9	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.9	170.9	0	0	0	0	0	110.4	V53 M122 A126 G236	V53-A281 PolarHBondContact N-O 3.16Å; V53-A281 PolarHBondContact O-N 2.93Å; V53-A281 VanDerWaalsContact O-O 3.14Å; M122-A281 HydrophobicContact CB-CB 3.8Å; M122-A281 WeakPolarHBondContact O-CB 3.5Å; A126-A281 HydrophobicContact CB-CB 3.82Å; G236-A281 WeakPolarHBondContact O-CA 3.24Å
282	A	98.9	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.1	172.3	0	0	0	0	0	108.9	G51 L52 G235 G236 A393 A394	G51-A282 WeakPolarHBondContact O-CA 3.31Å; L52-A282 HydrophobicContact CD2-CB 3.55Å; G235-A282 VanDerWaalsContact CA-O 3.28Å; G235-A282 WeakPolarHBondContact CA-O 3.25Å; G236-A282 PolarHBondContact N-O 3.21Å; G236-A282 PolarHBondContact O-N 2.75Å; A282-A393 HydrophobicContact CB-CB 3.88Å; A282-A393 WeakPolarHBondContact O-CB 3.14Å; A282-A394 VanDerWaalsContact CB-CA 3.46Å; A282-A394 HydrophobicContact CB-CB 3.81Å; A282-A394 VanDerWaalsContact CB-N 3.28Å
283	V	99	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.9	-179.2	177.2	0	0	0	0	109.1	G51 A126 A127 A130 I151 V233 A234	G51-V283 PolarHBondContact N-O 3.29Å; G51-V283 PolarHBondContact O-N 2.93Å; A126-V283 HydrophobicContact CB-CB 4.15Å; A126-V283 HydrophobicContact CB-CG2 3.73Å; A127-V283 HydrophobicContact CB-CG1 4.26Å; A127-V283 HydrophobicContact CB-CG2 4.36Å; A130-V283 HydrophobicContact CB-CB 4.15Å; A130-V283 HydrophobicContact CB-CG1 3.9Å; A130-V283 WeakPolarHBondContact CB-O 3.24Å; I151-V283 HydrophobicContact CD1-CG2 4.11Å; V233-V283 HydrophobicContact CG1-CG1 3.4Å; A234-V283 CarbonylContact O-C 3.58Å; A234-V283 WeakPolarHBondContact O-CA 3.29Å
284	L	98.9	Very high	98.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143	174.3	-58.9	91.2	0	0	0	108.5	I47 G49 V217 A234 L286 A393 A397	I47-L284 HydrophobicContact CD1-CD2 3.87Å; I47-L284 HydrophobicContact CG1-CD2 4.43Å; I47-L284 HydrophobicContact CG2-CB 4.36Å; I47-L284 HydrophobicContact CG2-CD2 4.01Å; G49-L284 CarbonylContact O-C 3.56Å; G49-L284 WeakPolarHBondContact O-CA 3.37Å; V217-L284 HydrophobicContact CG2-CD1 3.9Å; A234-L284 PolarHBondContact N-O 3.34Å; A234-L284 PolarHBondContact O-N 2.98Å; L284-L286 HydrophobicContact CB-CD1 3.69Å; L284-A393 HydrophobicContact CD1-CB 4.48Å; L284-A397 HydrophobicContact CD2-CB 4.42Å
285	V	98.9	Very high	98.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.5	166.7	-177.9	0	0	0	0	107.2	I47 T48 G49 A130 L131 V231	I47-V285 WeakPolarHBondContact CA-O 3.38Å; T48-V285 PolarHBondContact N-O 3.32Å; G49-V285 PolarHBondContact O-N 2.83Å; A130-V285 HydrophobicContact CB-CG2 3.99Å; A130-V285 WeakPolarHBondContact O-CG2 3.15Å; L131-V285 HydrophobicContact CD2-CG2 4.29Å; V231-V285 HydrophobicContact CG1-CG1 3.58Å
286	L	98.9	Very high	98.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.5	170.8	-83	64.6	0	0	0	108.7	V45 V46 I47 V217 F221 I224 V231 M232 A234 L284 V303	V45-L286 HydrophobicContact CG1-CB 3.99Å; V45-L286 HydrophobicContact CG1-CD2 4.2Å; V45-L286 HydrophobicContact CG1-CG 4.26Å; V46-L286 CarbonylContact O-C 3.57Å; V46-L286 WeakPolarHBondContact O-CA 3.36Å; I47-L286 HydrophobicContact CG1-CD1 4.23Å; I47-L286 HydrophobicContact CG1-CG 4.37Å; V217-L286 HydrophobicContact CG1-CD1 4.31Å; V217-L286 HydrophobicContact CG1-CD2 4.13Å; F221-L286 HydrophobicContact CB-CD2 4.03Å; I224-L286 HydrophobicContact CD1-CB 3.63Å; I224-L286 WeakPolarHBondContact CD1-O 3.49Å; V231-L286 CarbonylContact C-O 3.54Å; V231-L286 WeakPolarHBondContact CA-O 3.45Å; M232-L286 HydrophobicContact CB-CB 4.47Å; M232-L286 PolarHBondContact N-O 3.31Å; M232-L286 PolarHBondContact O-N 2.98Å; A234-L286 HydrophobicContact CB-CD1 4.2Å; L284-L286 HydrophobicContact CB-CD1 3.69Å; L286-V303 HydrophobicContact CD2-CG2 4.33Å
287	E	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	143.5	-170.9	-171.4	165.9	176.3	0	0	111.7	V45 V46 T48 D230 V231 H291 A292 R295	V45-E287 CarbonylContact C-O 3.59Å; V45-E287 WeakPolarHBondContact CA-O 3.39Å; V46-E287 HydrophobicContact CG2-CB 4.48Å; V46-E287 WeakPolarHBondContact CG2-O 3.22Å; V46-E287 PolarHBondContact N-O 2.92Å; V46-E287 PolarHBondContact O-N 3.38Å; T48-E287 WeakPolarHBondContact CB-OE2 3.42Å; T48-E287 HydrophobicContact CG2-CB 4.09Å; T48-E287 VanDerWaalsContact CG2-OE2 3.22Å; T48-E287 WeakPolarHBondContact CG2-OE2 3.3Å; T48-E287 PolarHBondContact OG1-OE2 2.89Å; D230-E287 CarbonylContact O-C 3.49Å; D230-E287 WeakPolarHBondContact O-CA 3.32Å; V231-E287 HydrophobicContact CG2-CG 4.1Å; E287-H291 IonicContact OE1-CE1 2.73Å; E287-H291 PolarHBondContact OE1-CE1 2.93Å; E287-H291 IonicContact OE1-CG 2.65Å; E287-H291 IonicContact OE1-ND1 3.43Å; E287-H291 PolarHBondContact OE1-ND1 3.04Å; E287-A292 HydrophobicContact CB-CB 4.43Å; E287-A292 HydrophobicContact CG-CB 3.92Å; E287-A292 WeakPolarHBondContact OE1-CA 3.48Å; E287-A292 PolarHBondContact OE1-N 2.95Å; E287-R295 WeakPolarHBondContact OE1-CD 3.3Å; E287-R295 IonicContact OE1-CZ 2.81Å; E287-R295 IonicContact OE1-NE 2.61Å; E287-R295 PolarHBondContact OE1-NE 3.32Å; E287-R295 IonicContact OE1-NH2 3.74Å; E287-R295 IonicContact OE2-CZ 3.43Å; E287-R295 IonicContact OE2-NE 2.68Å; E287-R295 PolarHBondContact OE2-NE 3.15Å; E287-R295 IonicContact OE2-NH2 3.29Å; E287-R295 PolarHBondContact OE2-NH2 2.96Å
288	E	98.9	Very high	98.8	Very high	24 Å²	24	39.1 Å²	39.1	11%	0.112	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	135.2	171.7	-166.3	-75.4	132.8	0	0	110.1	R43 I224 D230 E290 H291 A292	R43-E288 HydrophobicContact CB-CG 4.08Å; I224-E288 HydrophobicContact CG2-CB 3.76Å; I224-E288 HydrophobicContact CG2-CG 4.34Å; D230-E288 PolarHBondContact O-N 3.29Å; E288-E290 VanDerWaalsContact CD-N 3.3Å; E288-E290 PolarHBondContact O-N 2.64Å; E288-E290 PolarHBondContact OE1-N 2.91Å; E288-E290 WeakPolarHBondContact OE2-CA 3.32Å; E288-E290 WeakPolarHBondContact OE2-CB 3.31Å; E288-E290 PolarHBondContact OE2-N 3.33Å; E288-H291 HydrophobicContact CB-CB 4.14Å; E288-H291 WeakPolarHBondContact O-CB 3.43Å; E288-H291 PolarHBondContact O-N 3.45Å; E288-H291 PolarHBondContact OE2-N 2.76Å; E288-A292 PolarHBondContact O-N 3.48Å
289	Y	98.8	Very high	98.8	Very high	47 Å²	47	40.7 Å²	40.7	18%	0.184	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-47.7	-169.3	-179.8	-118	0	0	0	113.8	R44 V46 A292 V293 I299 M460	R44-Y289 HydrophobicContact CB-CG 4.32Å; R44-Y289 VanDerWaalsContact NH1-CD1 3.28Å; R44-Y289 PolarHBondContact O-N 3.27Å; V46-Y289 HydrophobicContact CG1-CD2 3.56Å; V46-Y289 HydrophobicContact CG1-CE2 4.29Å; V46-Y289 HydrophobicContact CG1-CG 4.4Å; V46-Y289 HydrophobicContact CG2-CD2 4.33Å; Y289-A292 PolarHBondContact O-N 2.96Å; Y289-V293 HydrophobicContact CD1-CG2 4.46Å; Y289-V293 HydrophobicContact CD2-CG2 4.08Å; Y289-V293 HydrophobicContact CE1-CG2 4.08Å; Y289-V293 HydrophobicContact CE2-CG2 3.68Å; Y289-V293 HydrophobicContact CG-CG2 4.49Å; Y289-V293 VanDerWaalsContact O-CG2 3.28Å; Y289-V293 WeakPolarHBondContact O-CG2 3.38Å; Y289-V293 PolarHBondContact O-N 2.94Å; Y289-I299 HydrophobicContact CD2-CD1 4.04Å; Y289-I299 HydrophobicContact CE2-CD1 3.76Å; Y289-M460 HydrophobicContact CD2-CE 4.36Å; Y289-M460 HydrophobicContact CD2-SD 4.34Å; Y289-M460 HydrophobicContact CE2-CE 3.36Å; Y289-M460 HydrophobicContact CE2-SD 3.79Å; Y289-M460 WeakPolarHBondContact OH-CE 3.39Å
290	E	98.6	Very high	98.8	Very high	97 Å²	97	40.3 Å²	40.3	45%	0.453	18%	0.178	S	C	.	.	H	α-helix	trans	-67.8	-37.8	-179.5	-67.1	-61.2	157.6	0	0	111.7	E288 A292 V293 Q294	E288-E290 VanDerWaalsContact CD-N 3.3Å; E288-E290 PolarHBondContact O-N 2.64Å; E288-E290 PolarHBondContact OE1-N 2.91Å; E288-E290 WeakPolarHBondContact OE2-CA 3.32Å; E288-E290 WeakPolarHBondContact OE2-CB 3.31Å; E288-E290 PolarHBondContact OE2-N 3.33Å; E290-A292 PolarHBondContact O-N 3.38Å; E290-V293 PolarHBondContact O-N 2.86Å; E290-Q294 WeakPolarHBondContact O-CB 3.24Å; E290-Q294 WeakPolarHBondContact O-CG 3.34Å; E290-Q294 PolarHBondContact O-N 2.89Å
291	H	98.8	Very high	98.8	Very high	34 Å²	34	40.3 Å²	40.3	16%	0.157	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-47.1	172.4	-176.9	-84.3	0	0	0	111.4	W136 E287 E288 Q294 R295	W136-H291 AromaticContact CH2-CE1 3.3Å; W136-H291 WeakPolarHBondContact CH2-CE1 3.43Å; W136-H291 AromaticContact CH2-NE2 3.45Å; W136-H291 WeakPolarHBondContact CH2-NE2 3.46Å; W136-H291 AromaticContact CZ2-CE1 3.95Å; W136-H291 AromaticContact CZ3-CE1 3.41Å; W136-H291 VanDerWaalsContact CZ3-CE1 3.41Å; W136-H291 WeakPolarHBondContact CZ3-CE1 3.48Å; W136-H291 AromaticContact CZ3-NE2 3.89Å; E287-H291 IonicContact OE1-CE1 2.73Å; E287-H291 PolarHBondContact OE1-CE1 2.93Å; E287-H291 IonicContact OE1-CG 2.65Å; E287-H291 IonicContact OE1-ND1 3.43Å; E287-H291 PolarHBondContact OE1-ND1 3.04Å; E288-H291 HydrophobicContact CB-CB 4.14Å; E288-H291 WeakPolarHBondContact O-CB 3.43Å; E288-H291 PolarHBondContact O-N 3.45Å; E288-H291 PolarHBondContact OE2-N 2.76Å; H291-Q294 PolarHBondContact O-N 3.04Å; H291-R295 PolarHBondContact O-N 3.49Å
292	A	98.8	Very high	98.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-44.2	175.6	0	0	0	0	0	112.4	V46 T48 E287 E288 Y289 E290 R296 A297 I299	V46-A292 HydrophobicContact CG2-CB 3.71Å; T48-A292 HydrophobicContact CG2-CB 3.9Å; E287-A292 HydrophobicContact CB-CB 4.43Å; E287-A292 HydrophobicContact CG-CB 3.92Å; E287-A292 WeakPolarHBondContact OE1-CA 3.48Å; E287-A292 PolarHBondContact OE1-N 2.95Å; E288-A292 PolarHBondContact O-N 3.48Å; Y289-A292 PolarHBondContact O-N 2.96Å; E290-A292 PolarHBondContact O-N 3.38Å; A292-R296 PolarHBondContact O-N 3.4Å; A292-A297 HydrophobicContact CB-CB 4.04Å; A292-A297 WeakPolarHBondContact O-CB 3.34Å; A292-A297 PolarHBondContact O-N 2.64Å; A292-I299 HydrophobicContact CB-CD1 4.27Å; A292-I299 HydrophobicContact CB-CG1 4.4Å
293	V	98.8	Very high	98.8	Very high	61 Å²	61	40.9 Å²	40.9	37%	0.37	18%	0.181	S	C	.	.	H	α-helix	trans	-63.9	-46.3	178.8	168.6	0	0	0	0	111.2	Y289 E290 R295 R296 I299	Y289-V293 HydrophobicContact CD1-CG2 4.46Å; Y289-V293 HydrophobicContact CD2-CG2 4.08Å; Y289-V293 HydrophobicContact CE1-CG2 4.08Å; Y289-V293 HydrophobicContact CE2-CG2 3.68Å; Y289-V293 HydrophobicContact CG-CG2 4.49Å; Y289-V293 VanDerWaalsContact O-CG2 3.28Å; Y289-V293 WeakPolarHBondContact O-CG2 3.38Å; Y289-V293 PolarHBondContact O-N 2.94Å; E290-V293 PolarHBondContact O-N 2.86Å; V293-R295 VanDerWaalsContact C-N 3.31Å; V293-R295 PolarHBondContact O-N 2.99Å; V293-R296 WeakPolarHBondContact O-CA 3.3Å; V293-R296 PolarHBondContact O-N 2.8Å; V293-I299 HydrophobicContact CG2-CD1 4.36Å
294	Q	98.6	Very high	98.8	Very high	151 Å²	151	42.2 Å²	42.2	71%	0.706	19%	0.187	S	C	*	.	H	α-helix	trans	-60.3	-39.2	-178.3	-75.7	174.7	17.8	0	0	112.5	E290 H291 R296	E290-Q294 WeakPolarHBondContact O-CB 3.24Å; E290-Q294 WeakPolarHBondContact O-CG 3.34Å; E290-Q294 PolarHBondContact O-N 2.89Å; H291-Q294 PolarHBondContact O-N 3.04Å; Q294-R296 VanDerWaalsContact C-N 3.29Å; Q294-R296 PolarHBondContact O-N 2.83Å
295	R	98.6	Very high	98.8	Very high	67 Å²	67	42.1 Å²	42.1	25%	0.253	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.1	175.5	76.7	177.9	-173.3	86.9	-2.3	114.3	T48 S134 E287 H291 V293 A297	T48-R295 PolarHBondContact OG1-NH2 2.69Å; S134-R295 PolarHBondContact O-NH1 3.07Å; S134-R295 PolarHBondContact O-NH2 3.39Å; S134-R295 PolarHBondContact OG-NH2 3.46Å; E287-R295 WeakPolarHBondContact OE1-CD 3.3Å; E287-R295 IonicContact OE1-CZ 2.81Å; E287-R295 IonicContact OE1-NE 2.61Å; E287-R295 PolarHBondContact OE1-NE 3.32Å; E287-R295 IonicContact OE1-NH2 3.74Å; E287-R295 IonicContact OE2-CZ 3.43Å; E287-R295 IonicContact OE2-NE 2.68Å; E287-R295 PolarHBondContact OE2-NE 3.15Å; E287-R295 IonicContact OE2-NH2 3.29Å; E287-R295 PolarHBondContact OE2-NH2 2.96Å; H291-R295 PolarHBondContact O-N 3.49Å; V293-R295 VanDerWaalsContact C-N 3.31Å; V293-R295 PolarHBondContact O-N 2.99Å; R295-A297 VanDerWaalsContact C-N 3.31Å; R295-A297 HydrophobicContact CG-CB 4.14Å; R295-A297 VanDerWaalsContact CZ-CB 3.4Å; R295-A297 PolarHBondContact O-N 2.76Å
296	R	98.6	Very high	98.8	Very high	226 Å²	226	42.4 Å²	42.4	85%	0.853	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	42.8	-176.5	-57.9	177.1	-70.2	-114.5	-3.2	112.8	A292 V293 Q294	A292-R296 PolarHBondContact O-N 3.4Å; V293-R296 WeakPolarHBondContact O-CA 3.3Å; V293-R296 PolarHBondContact O-N 2.8Å; Q294-R296 VanDerWaalsContact C-N 3.29Å; Q294-R296 PolarHBondContact O-N 2.83Å
297	A	98.6	Very high	98.8	Very high	15 Å²	15	42.4 Å²	42.4	12%	0.124	19%	0.189	C	C	.	.			trans	-61.1	145.4	173.9	0	0	0	0	0	110.5	T48 A292 R295 I299	T48-A297 HydrophobicContact CG2-CB 3.75Å; A292-A297 HydrophobicContact CB-CB 4.04Å; A292-A297 WeakPolarHBondContact O-CB 3.34Å; A292-A297 PolarHBondContact O-N 2.64Å; R295-A297 VanDerWaalsContact C-N 3.31Å; R295-A297 HydrophobicContact CG-CB 4.14Å; R295-A297 VanDerWaalsContact CZ-CB 3.4Å; R295-A297 PolarHBondContact O-N 2.76Å; A297-I299 PolarHBondContact O-N 3.4Å
298	R	98.7	Very high	98.8	Very high	85 Å²	85	46.2 Å²	46.2	32%	0.321	21%	0.208	S	C	.	.			trans	-68.2	127	161.9	179.9	-161.3	61.6	-148.5	-16.1	107.5	T48 D133 Y300	T48-R298 WeakPolarHBondContact CA-O 3.27Å; T48-R298 PolarHBondContact O-NH2 3.49Å; D133-R298 PolarHBondContact O-NH2 3.46Å; D133-R298 IonicContact OD1-CZ 3.85Å; D133-R298 VanDerWaalsContact OD1-CZ 3.28Å; D133-R298 IonicContact OD1-NH1 3.33Å; D133-R298 PolarHBondContact OD1-NH1 2.96Å; D133-R298 IonicContact OD1-NH2 3.52Å; D133-R298 PolarHBondContact OD1-NH2 3.12Å; D133-R298 IonicContact OD2-CZ 2.67Å; D133-R298 IonicContact OD2-NH1 3.4Å; D133-R298 IonicContact OD2-NH2 2.67Å; D133-R298 PolarHBondContact OD2-NH2 3.48Å; R298-Y300 VanDerWaalsContact NE-CZ 3.35Å; R298-Y300 PolarHBondContact NH1-OH 2.94Å; R298-Y300 PolarHBondContact NH2-OH 3.24Å; R298-Y300 VanDerWaalsContact NH2-OH 3.07Å
299	I	98.9	Very high	98.8	Very high	35 Å²	35	46 Å²	46	18%	0.179	21%	0.21	C	C	.	.			trans	-107.5	124.6	176.7	-62.3	169.8	0	0	0	108.7	V46 T48 Y289 A292 V293 A297 M460	V46-I299 HydrophobicContact CB-CG1 4.45Å; V46-I299 HydrophobicContact CB-CG2 3.7Å; V46-I299 HydrophobicContact CG1-CD1 4.49Å; V46-I299 HydrophobicContact CG1-CG2 3.88Å; V46-I299 HydrophobicContact CG2-CD1 4.14Å; V46-I299 HydrophobicContact CG2-CG1 4.1Å; V46-I299 HydrophobicContact CG2-CG2 4.29Å; T48-I299 HydrophobicContact CG2-CG1 4.24Å; Y289-I299 HydrophobicContact CD2-CD1 4.04Å; Y289-I299 HydrophobicContact CE2-CD1 3.76Å; A292-I299 HydrophobicContact CB-CD1 4.27Å; A292-I299 HydrophobicContact CB-CG1 4.4Å; V293-I299 HydrophobicContact CG2-CD1 4.36Å; A297-I299 PolarHBondContact O-N 3.4Å; I299-M460 HydrophobicContact CB-SD 4.41Å; I299-M460 HydrophobicContact CD1-SD 4.32Å; I299-M460 HydrophobicContact CG2-CG 4.2Å; I299-M460 HydrophobicContact CG2-SD 3.47Å; I299-M460 WeakPolarHBondContact CG2-SD 3.44Å
300	Y	98.9	Very high	98.8	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.012	22%	0.218	C	C	.	.			trans	-83.2	-46.7	176	-73.3	-72.4	0	0	0	112.6	I47 I50 D133 R298 T400 L401 Y404	I47-Y300 HydrophobicContact CG2-CD2 4.35Å; I47-Y300 PolarHBondContact O-N 2.92Å; I50-Y300 HydrophobicContact CD1-CD2 3.93Å; I50-Y300 HydrophobicContact CD1-CE2 3.89Å; I50-Y300 HydrophobicContact CD1-CG 4.27Å; I50-Y300 HydrophobicContact CG1-CD2 4.08Å; I50-Y300 HydrophobicContact CG1-CE2 3.9Å; D133-Y300 PolarHBondContact OD1-OH 3.28Å; D133-Y300 WeakPolarHBondContact OD2-CE2 3.28Å; D133-Y300 PolarHBondContact OD2-OH 3.46Å; D133-Y300 VanDerWaalsContact OD2-OH 3.11Å; R298-Y300 VanDerWaalsContact NE-CZ 3.35Å; R298-Y300 PolarHBondContact NH1-OH 2.94Å; R298-Y300 PolarHBondContact NH2-OH 3.24Å; R298-Y300 VanDerWaalsContact NH2-OH 3.07Å; Y300-T400 VanDerWaalsContact CB-CG2 3.44Å; Y300-T400 HydrophobicContact CG-CG2 4.2Å; Y300-L401 HydrophobicContact CD1-CD2 4.28Å; Y300-L401 HydrophobicContact CE1-CD2 3.99Å; Y300-Y404 HydrophobicContact CD1-CD1 4.09Å; Y300-Y404 AromaticContact CD1-CD2 3.89Å; Y300-Y404 HydrophobicContact CD1-CD2 3.89Å; Y300-Y404 HydrophobicContact CD1-CE1 4.45Å; Y300-Y404 HydrophobicContact CD1-CE2 4.25Å; Y300-Y404 AromaticContact CD1-CG 3.8Å; Y300-Y404 HydrophobicContact CD1-CG 3.8Å; Y300-Y404 HydrophobicContact CE1-CD1 4.4Å
301	A	98.9	Very high	98.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	167.6	-173.5	0	0	0	0	0	110.6	V46 I47 T400 C403 I457 A458	V46-A301 CarbonylContact C-O 3.59Å; V46-A301 WeakPolarHBondContact CA-O 3.44Å; I47-A301 PolarHBondContact N-O 2.86Å; A301-T400 HydrophobicContact CB-CG2 3.87Å; A301-C403 HydrophobicContact CB-CB 4.32Å; A301-I457 HydrophobicContact CB-CG2 3.53Å; A301-A458 CarbonylContact C-O 3.54Å; A301-A458 VanDerWaalsContact CA-O 3.28Å; A301-A458 WeakPolarHBondContact CA-O 3.18Å; A301-A458 VanDerWaalsContact CB-O 3.28Å; A301-A458 WeakPolarHBondContact CB-O 3.37Å
302	E	98.9	Very high	98.7	Very high	11 Å²	11	45.3 Å²	45.3	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.5	171.2	-166.7	175.3	-179.4	0	0	110.1	R44 V45 V46 L304 R438 I457 A458 M460	R44-E302 WeakPolarHBondContact CG-OE1 3.21Å; R44-E302 IonicContact CZ-OE1 3.57Å; R44-E302 IonicContact CZ-OE2 3.66Å; R44-E302 IonicContact NE-OE1 2.79Å; R44-E302 PolarHBondContact NE-OE1 3.26Å; R44-E302 IonicContact NE-OE2 3.62Å; R44-E302 IonicContact NH2-OE1 3.48Å; R44-E302 PolarHBondContact NH2-OE1 3.2Å; R44-E302 IonicContact NH2-OE2 2.83Å; R44-E302 PolarHBondContact NH2-OE2 2.84Å; V45-E302 WeakPolarHBondContact O-CG 3.03Å; V46-E302 HydrophobicContact CG1-CB 4.26Å; V46-E302 HydrophobicContact CG1-CG 4.19Å; E302-L304 HydrophobicContact CB-CD2 4.05Å; E302-L304 HydrophobicContact CG-CD2 3.71Å; E302-R438 IonicContact OE2-CZ 3.53Å; E302-R438 IonicContact OE2-NH1 3.98Å; E302-R438 IonicContact OE2-NH2 2.82Å; E302-R438 PolarHBondContact OE2-NH2 2.89Å; E302-I457 CarbonylContact O-C 3.58Å; E302-I457 WeakPolarHBondContact O-CA 3.11Å; E302-A458 PolarHBondContact N-O 3.45Å; E302-A458 PolarHBondContact O-N 2.93Å; E302-M460 HydrophobicContact CB-CG 4.23Å
303	V	98.9	Very high	98.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.8	168.4	-175.6	0	0	0	0	107.2	V45 I47 F221 L286	V45-V303 PolarHBondContact O-N 2.87Å; I47-V303 HydrophobicContact CD1-CG2 3.82Å; I47-V303 HydrophobicContact CG1-CG2 3.9Å; F221-V303 HydrophobicContact CB-CG1 4.01Å; F221-V303 HydrophobicContact CD1-CG1 4.32Å; F221-V303 HydrophobicContact CD2-CB 4.01Å; F221-V303 HydrophobicContact CD2-CG1 3.82Å; F221-V303 HydrophobicContact CE2-CG1 4.34Å; F221-V303 VanDerWaalsContact CE2-O 3.27Å; F221-V303 WeakPolarHBondContact CE2-O 3.33Å; F221-V303 HydrophobicContact CG-CB 4.42Å; F221-V303 HydrophobicContact CG-CG1 3.8Å; L286-V303 HydrophobicContact CD2-CG2 4.33Å
304	L	98.8	Very high	98.6	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.141	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-37.2	-174.1	-60.8	-175.6	0	0	0	112.7	E302 A336 V338 C456 A458	E302-L304 HydrophobicContact CB-CD2 4.05Å; E302-L304 HydrophobicContact CG-CD2 3.71Å; L304-A336 HydrophobicContact CB-CB 3.63Å; L304-A336 WeakPolarHBondContact O-CA 3.41Å; L304-V338 HydrophobicContact CD1-CG2 4.1Å; L304-C456 PolarHBondContact N-O 2.95Å; L304-A458 HydrophobicContact CD1-CB 3.44Å; L304-A458 VanDerWaalsContact CD1-CB 3.44Å; L304-A458 HydrophobicContact CG-CB 3.92Å
305	G	98.8	Very high	98.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	157.6	-172.6	0	0	0	0	0	114.4	D335 C456	G305-D335 WeakPolarHBondContact CA-OD2 3.38Å; G305-C456 PolarHBondContact N-O 3.35Å; G305-C456 PolarHBondContact O-N 3.3Å
306	Y	98.9	Very high	98.4	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	113.4	-176.4	169.9	-144	0	0	0	111	H215 G218 D219 R222 L308 D335 A453 L455	H215-Y306 WeakPolarHBondContact CA-OH 3.4Å; H215-Y306 AromaticContact CD2-CE2 3.95Å; H215-Y306 AromaticContact CD2-CZ 3.9Å; H215-Y306 PolarHBondContact CD2-OH 2.92Å; H215-Y306 PolarHBondContact O-OH 3.19Å; G218-Y306 VanDerWaalsContact CA-CD1 3.46Å; G218-Y306 WeakPolarHBondContact O-CD1 3.32Å; D219-Y306 VanDerWaalsContact OD1-CE1 3.31Å; D219-Y306 WeakPolarHBondContact OD1-CE1 3.04Å; D219-Y306 PolarHBondContact OD1-OH 3.1Å; R222-Y306 HydrophobicContact CG-CD1 3.99Å; R222-Y306 PolarHBondContact NH2-O 2.74Å; Y306-L308 HydrophobicContact CD1-CD1 4Å; Y306-L308 HydrophobicContact CD2-CD1 4.07Å; Y306-L308 HydrophobicContact CD2-CG 4.37Å; Y306-L308 HydrophobicContact CE1-CD1 3.72Å; Y306-L308 HydrophobicContact CE1-CD2 4.32Å; Y306-L308 HydrophobicContact CE1-CG 4.29Å; Y306-L308 HydrophobicContact CE2-CD1 3.78Å; Y306-L308 HydrophobicContact CE2-CD2 4.19Å; Y306-L308 HydrophobicContact CE2-CG 3.69Å; Y306-L308 HydrophobicContact CG-CD1 4.18Å; Y306-L308 WeakPolarHBondContact OH-CD2 3.06Å; Y306-D335 PolarHBondContact N-OD2 3.45Å; Y306-A453 HydrophobicContact CE2-CB 4.23Å; Y306-L455 HydrophobicContact CD2-CD2 3.76Å; Y306-L455 HydrophobicContact CE2-CD2 4.45Å; Y306-L455 HydrophobicContact CG-CD2 4.16Å
307	G	98.9	Very high	98.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.2	-179.4	0	0	0	0	0	111.9	C328 A453 T454	G307-C328 WeakPolarHBondContact CA-O 3.35Å; G307-A453 VanDerWaalsContact O-CA 3.3Å; G307-A453 WeakPolarHBondContact O-CA 3.35Å; G307-T454 PolarHBondContact N-O 3.35Å; G307-T454 PolarHBondContact O-N 3.29Å
308	L	98.9	Very high	98.2	Very high	79 Å²	79	41.1 Å²	41.1	41%	0.414	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.4	178.5	-52.5	86.2	0	0	0	110.1	Y306 N452	Y306-L308 HydrophobicContact CD1-CD1 4Å; Y306-L308 HydrophobicContact CD2-CD1 4.07Å; Y306-L308 HydrophobicContact CD2-CG 4.37Å; Y306-L308 HydrophobicContact CE1-CD1 3.72Å; Y306-L308 HydrophobicContact CE1-CD2 4.32Å; Y306-L308 HydrophobicContact CE1-CG 4.29Å; Y306-L308 HydrophobicContact CE2-CD1 3.78Å; Y306-L308 HydrophobicContact CE2-CD2 4.19Å; Y306-L308 HydrophobicContact CE2-CG 3.69Å; Y306-L308 HydrophobicContact CG-CD1 4.18Å; Y306-L308 WeakPolarHBondContact OH-CD2 3.06Å; L308-N452 VanDerWaalsContact CA-O 3.31Å; L308-N452 WeakPolarHBondContact CA-O 3.38Å
309	S	98.9	Very high	98.2	Very high	20 Å²	20	38.5 Å²	38.5	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	170.9	169.2	85.8	0	0	0	0	111.3	G324 N452	S309-G324 VanDerWaalsContact OG-C 3.27Å; S309-G324 WeakPolarHBondContact OG-CA 3.24Å; S309-G324 PolarHBondContact OG-O 3.12Å; S309-N452 PolarHBondContact N-O 2.9Å; S309-N452 PolarHBondContact O-N 2.85Å; S309-N452 WeakPolarHBondContact OG-CB 3.33Å; S309-N452 PolarHBondContact OG-ND2 3.03Å
310	G	98.6	Very high	98.1	Very high	35 Å²	35	40.7 Å²	40.7	36%	0.361	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.2	166.4	0	0	0	0	0	110.8	R327 G450	G310-R327 VanDerWaalsContact O-CZ 3.3Å; G310-R327 PolarHBondContact O-NH1 3.17Å; G310-R327 PolarHBondContact O-NH2 3.4Å; G310-G450 CarbonylContact C-O 3.6Å; G310-G450 WeakPolarHBondContact CA-O 3.38Å
311	D	98.4	Very high	98	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.128	29%	0.287	C	S	.	.			trans	-69.4	-39.5	175.9	-70.2	-6.2	0	0	0	111.2	G313 D319 G324 G450 N452	D311-G313 PolarHBondContact O-N 2.8Å; D311-D319 HydrophobicContact CB-CB 4.46Å; D311-D319 PolarHBondContact OD2-N 3.26Å; D311-G324 WeakPolarHBondContact OD1-CA 3.49Å; D311-G450 PolarHBondContact N-O 3Å; D311-N452 PolarHBondContact OD1-ND2 3.2Å
312	A	97.6	Very high	98	Very high	105 Å²	105	45.4 Å²	45.4	87%	0.868	29%	0.289	S	S	*	.			trans	54.7	26	-173.8	0	0	0	0	0	114.2
313	G	97.9	Very high	97.9	Very high	68 Å²	68	50.5 Å²	50.5	70%	0.701	31%	0.312	S	S	*	.	S	Bend	trans	-102.7	-64.4	-179	0	0	0	0	0	113.9	D311	D311-G313 PolarHBondContact O-N 2.8Å
314	H	98	Very high	97.9	Very high	104 Å²	104	50.4 Å²	50.4	48%	0.481	31%	0.312	S	S	.	.			trans	-143.2	156.1	-172.9	-173	-91.2	0	0	0	112	T316 A317	H314-T316 VanDerWaalsContact C-N 3.31Å; H314-T316 PolarHBondContact CE1-OG1 3.02Å; H314-T316 VanDerWaalsContact CE1-OG1 3.22Å; H314-T316 PolarHBondContact ND1-N 3.31Å; H314-T316 VanDerWaalsContact ND1-N 3.15Å; H314-T316 PolarHBondContact ND1-OG1 2.96Å; H314-T316 PolarHBondContact O-N 2.88Å; H314-A317 HydrophobicContact CB-CB 4.22Å; H314-A317 PolarHBondContact ND1-N 2.9Å
315	I	97	Very high	97.9	Very high	129 Å²	129	49.3 Å²	49.3	66%	0.662	31%	0.307	S	S	*	.	S	Bend	trans	-72.3	-19.5	-174.1	57.7	164.5	0	0	0	114.4	G449	I315-G449 PolarHBondContact O-N 3.45Å
316	T	95.5	Very high	97.9	Very high	51 Å²	51	50.4 Å²	50.4	31%	0.313	31%	0.313	S	S	.	.	S	Bend	trans	-139	-50.2	-177.4	56.1	0	0	0	0	113.4	H314 F448	H314-T316 VanDerWaalsContact C-N 3.31Å; H314-T316 PolarHBondContact CE1-OG1 3.02Å; H314-T316 VanDerWaalsContact CE1-OG1 3.22Å; H314-T316 PolarHBondContact ND1-N 3.31Å; H314-T316 VanDerWaalsContact ND1-N 3.15Å; H314-T316 PolarHBondContact ND1-OG1 2.96Å; H314-T316 PolarHBondContact O-N 2.88Å; T316-F448 HydrophobicContact CG2-CD2 3.82Å; T316-F448 HydrophobicContact CG2-CE2 3.85Å; T316-F448 HydrophobicContact CG2-CG 4.16Å; T316-F448 HydrophobicContact CG2-CZ 4.23Å
317	A	96.6	Very high	97.9	Very high	34 Å²	34	55.3 Å²	55.3	28%	0.281	33%	0.332	S	S	.	.	S	Bend	trans	-59.7	133.9	171.7	0	0	0	0	0	111.7	H314	H314-A317 HydrophobicContact CB-CB 4.22Å; H314-A317 PolarHBondContact ND1-N 2.9Å
318	P	96.8	Very high	97.9	Very high	45 Å²	45	55.3 Å²	55.3	29%	0.292	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-72.8	166.4	173.6	33.7	-35.9	0	0	0	110.6	L355 A359	P318-L355 HydrophobicContact CG-CB 4.08Å; P318-A359 HydrophobicContact CG-CB 4.48Å
319	D	97.8	Very high	97.9	Very high	31 Å²	31	51.5 Å²	51.5	17%	0.166	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-59	121.6	164.1	177.9	-3.1	0	0	0	110.8	D311 E321 G322 E323 A359	D311-D319 HydrophobicContact CB-CB 4.46Å; D311-D319 PolarHBondContact OD2-N 3.26Å; D319-E321 PolarHBondContact O-N 3.11Å; D319-E321 PolarHBondContact OD1-N 3.07Å; D319-G322 PolarHBondContact O-N 2.85Å; D319-E323 WeakPolarHBondContact OD2-CA 3.43Å; D319-E323 WeakPolarHBondContact OD2-CB 3.4Å; D319-E323 VanDerWaalsContact OD2-CG 3.29Å; D319-E323 WeakPolarHBondContact OD2-CG 3.45Å; D319-E323 PolarHBondContact OD2-N 2.85Å; D319-A359 VanDerWaalsContact O-CB 3.22Å; D319-A359 WeakPolarHBondContact O-CB 3.3Å
320	P	96.4	Very high	97.9	Very high	81 Å²	81	52.3 Å²	52.3	53%	0.526	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.5	-177.4	26.9	-36.9	0	0	0	114.9	K362	P320-K362 WeakPolarHBondContact O-CD 3.28Å; P320-K362 PolarHBondContact O-NZ 3.36Å
321	E	97.6	Very high	98	Very high	99 Å²	99	52.3 Å²	52.3	46%	0.463	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.4	174	-58.7	-48.5	130.4	0	0	112.6	D319 E323 K362	D319-E321 PolarHBondContact O-N 3.11Å; D319-E321 PolarHBondContact OD1-N 3.07Å; E321-E323 VanDerWaalsContact C-N 3.32Å; E321-E323 HydrophobicContact CB-CG 4.25Å; E321-E323 PolarHBondContact O-N 3.39Å; E321-K362 IonicContact OE1-NZ 2.82Å; E321-K362 PolarHBondContact OE1-NZ 2.91Å; E321-K362 IonicContact OE2-NZ 3Å; E321-K362 PolarHBondContact OE2-NZ 3.13Å
322	G	98.1	Very high	98	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.031	31%	0.31	C	S	.	.			trans	65.6	28.2	177.8	0	0	0	0	0	113.9	D319 G324 A325 V326	D319-G322 PolarHBondContact O-N 2.85Å; G322-G324 VanDerWaalsContact C-N 3.28Å; G322-G324 PolarHBondContact O-N 3.07Å; G322-A325 WeakPolarHBondContact O-CB 3.49Å; G322-A325 PolarHBondContact O-N 3.11Å; G322-V326 WeakPolarHBondContact O-CG2 3.41Å; G322-V326 PolarHBondContact O-N 3.49Å
323	E	98.6	Very high	98	Very high	117 Å²	117	46.5 Å²	46.5	55%	0.547	27%	0.27	S	S	.	.	H	α-helix	trans	-63.4	-34.9	-175.2	-55.8	-173.6	163.4	0	0	112.1	D319 E321 V326 R327	D319-E323 WeakPolarHBondContact OD2-CA 3.43Å; D319-E323 WeakPolarHBondContact OD2-CB 3.4Å; D319-E323 VanDerWaalsContact OD2-CG 3.29Å; D319-E323 WeakPolarHBondContact OD2-CG 3.45Å; D319-E323 PolarHBondContact OD2-N 2.85Å; E321-E323 VanDerWaalsContact C-N 3.32Å; E321-E323 HydrophobicContact CB-CG 4.25Å; E321-E323 PolarHBondContact O-N 3.39Å; E323-V326 PolarHBondContact O-N 2.65Å; E323-R327 WeakPolarHBondContact O-CB 3.49Å; E323-R327 WeakPolarHBondContact O-CG 3.31Å; E323-R327 PolarHBondContact O-N 3.04Å; E323-R327 PolarHBondContact O-NE 3.07Å
324	G	98.6	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-43.1	171.7	0	0	0	0	0	113.1	S309 D311 G322 R327 C328	S309-G324 VanDerWaalsContact OG-C 3.27Å; S309-G324 WeakPolarHBondContact OG-CA 3.24Å; S309-G324 PolarHBondContact OG-O 3.12Å; D311-G324 WeakPolarHBondContact OD1-CA 3.49Å; G322-G324 VanDerWaalsContact C-N 3.28Å; G322-G324 PolarHBondContact O-N 3.07Å; G324-R327 PolarHBondContact O-N 3.02Å; G324-C328 PolarHBondContact O-N 3.02Å
325	A	98.8	Very high	98.1	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-45.8	174.5	0	0	0	0	0	111.3	G322 R327 C328 M329 A363 F446	G322-A325 WeakPolarHBondContact O-CB 3.49Å; G322-A325 PolarHBondContact O-N 3.11Å; A325-R327 VanDerWaalsContact C-N 3.34Å; A325-R327 PolarHBondContact O-N 2.71Å; A325-C328 PolarHBondContact O-N 3.32Å; A325-C328 PolarHBondContact O-SG 2.61Å; A325-M329 WeakPolarHBondContact O-CG 3.43Å; A325-M329 PolarHBondContact O-N 2.98Å; A325-A363 HydrophobicContact CB-CB 3.68Å; A325-F446 HydrophobicContact CB-CD1 4.44Å; A325-F446 HydrophobicContact CB-CD2 4.33Å; A325-F446 HydrophobicContact CB-CE1 3.88Å; A325-F446 HydrophobicContact CB-CE2 3.69Å; A325-F446 HydrophobicContact CB-CZ 3.44Å; A325-F446 VanDerWaalsContact CB-CZ 3.44Å
326	V	98.9	Very high	98.2	Very high	22 Å²	22	44.6 Å²	44.6	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-55.5	-49.3	173.9	175.1	0	0	0	0	110.9	G322 E323 C328 M329 A330 A363 H366 L367	G322-V326 WeakPolarHBondContact O-CG2 3.41Å; G322-V326 PolarHBondContact O-N 3.49Å; E323-V326 PolarHBondContact O-N 2.65Å; V326-C328 PolarHBondContact O-N 2.73Å; V326-M329 PolarHBondContact O-N 3.11Å; V326-A330 VanDerWaalsContact O-CB 3.24Å; V326-A330 WeakPolarHBondContact O-CB 3.48Å; V326-A330 PolarHBondContact O-N 2.65Å; V326-A363 HydrophobicContact CG2-CB 3.63Å; V326-H366 HydrophobicContact CG2-CB 4.33Å; V326-L367 HydrophobicContact CG1-CB 4.47Å
327	R	98.9	Very high	98.3	Very high	109 Å²	109	45.1 Å²	45.1	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-42.9	-177.9	-77	178.9	-71.2	125.3	-6.2	112.8	G310 E323 G324 A325 A331	G310-R327 VanDerWaalsContact O-CZ 3.3Å; G310-R327 PolarHBondContact O-NH1 3.17Å; G310-R327 PolarHBondContact O-NH2 3.4Å; E323-R327 WeakPolarHBondContact O-CB 3.49Å; E323-R327 WeakPolarHBondContact O-CG 3.31Å; E323-R327 PolarHBondContact O-N 3.04Å; E323-R327 PolarHBondContact O-NE 3.07Å; G324-R327 PolarHBondContact O-N 3.02Å; A325-R327 VanDerWaalsContact C-N 3.34Å; A325-R327 PolarHBondContact O-N 2.71Å; R327-A331 VanDerWaalsContact O-CB 3.25Å; R327-A331 WeakPolarHBondContact O-CB 3.36Å; R327-A331 PolarHBondContact O-N 3.47Å
328	C	98.9	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-72.7	-39.2	-179.3	71.2	0	0	0	0	112.2	G307 G324 A325 V326 A331 A332 F446 N452 T454	G307-C328 WeakPolarHBondContact CA-O 3.35Å; G324-C328 PolarHBondContact O-N 3.02Å; A325-C328 PolarHBondContact O-N 3.32Å; A325-C328 PolarHBondContact O-SG 2.61Å; V326-C328 PolarHBondContact O-N 2.73Å; C328-A331 PolarHBondContact O-N 2.85Å; C328-A332 PolarHBondContact O-N 2.99Å; C328-F446 VanDerWaalsContact SG-CE1 3.56Å; C328-N452 HydrophobicContact CB-CB 4.03Å; C328-T454 PolarHBondContact SG-OG1 3.21Å
329	M	98.9	Very high	98.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-47.4	172.9	-72.2	-171.9	-70.2	0	0	111.2	A325 V326 A331 A332 L333 A363 I364 L367 F368 N444 T454	A325-M329 WeakPolarHBondContact O-CG 3.43Å; A325-M329 PolarHBondContact O-N 2.98Å; V326-M329 PolarHBondContact O-N 3.11Å; M329-A331 VanDerWaalsContact C-N 3.31Å; M329-A331 PolarHBondContact O-N 3.47Å; M329-A332 WeakPolarHBondContact O-CB 3.46Å; M329-A332 PolarHBondContact O-N 2.85Å; M329-A332 VanDerWaalsContact O-N 3.15Å; M329-L333 WeakPolarHBondContact O-CG 3.42Å; M329-L333 PolarHBondContact O-N 3.27Å; M329-A363 HydrophobicContact CE-CB 3.8Å; M329-I364 HydrophobicContact CE-CG1 4.18Å; M329-I364 HydrophobicContact SD-CG1 4.22Å; M329-L367 HydrophobicContact CB-CD2 3.36Å; M329-L367 HydrophobicContact CE-CD2 4.2Å; M329-L367 HydrophobicContact CG-CD2 4.45Å; M329-L367 HydrophobicContact SD-CD2 4.41Å; M329-F368 HydrophobicContact SD-CE2 4.27Å; M329-N444 WeakPolarHBondContact CG-OD1 3.24Å; M329-N444 PolarHBondContact SD-ND2 3.01Å; M329-N444 VanDerWaalsContact SD-ND2 3.38Å; M329-T454 HydrophobicContact CG-CG2 4.13Å; M329-T454 VanDerWaalsContact CG-OG1 3.32Å; M329-T454 WeakPolarHBondContact CG-OG1 3.16Å
330	A	98.9	Very high	98.6	Very high	36 Å²	36	47.1 Å²	47.1	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-38.2	176.9	0	0	0	0	0	112.5	V326 L333 K334 L367	V326-A330 VanDerWaalsContact O-CB 3.24Å; V326-A330 WeakPolarHBondContact O-CB 3.48Å; V326-A330 PolarHBondContact O-N 2.65Å; A330-L333 PolarHBondContact O-N 3.4Å; A330-K334 VanDerWaalsContact O-CB 3.31Å; A330-K334 WeakPolarHBondContact O-CB 3.39Å; A330-K334 PolarHBondContact O-N 2.9Å; A330-L367 HydrophobicContact CB-CD1 4Å
331	A	98.9	Very high	98.7	Very high	36 Å²	36	49 Å²	49	30%	0.298	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-38.8	174.8	0	0	0	0	0	112.1	R327 C328 M329 K334 D335	R327-A331 VanDerWaalsContact O-CB 3.25Å; R327-A331 WeakPolarHBondContact O-CB 3.36Å; R327-A331 PolarHBondContact O-N 3.47Å; C328-A331 PolarHBondContact O-N 2.85Å; M329-A331 VanDerWaalsContact C-N 3.31Å; M329-A331 PolarHBondContact O-N 3.47Å; A331-K334 PolarHBondContact O-N 3.04Å; A331-D335 WeakPolarHBondContact O-CB 3.32Å; A331-D335 PolarHBondContact O-N 3.44Å
332	A	98.9	Very high	98.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-42.6	176.6	0	0	0	0	0	111.8	C328 M329 D335 A336 T454	C328-A332 PolarHBondContact O-N 2.99Å; M329-A332 WeakPolarHBondContact O-CB 3.46Å; M329-A332 PolarHBondContact O-N 2.85Å; M329-A332 VanDerWaalsContact O-N 3.15Å; A332-D335 PolarHBondContact O-N 2.94Å; A332-A336 WeakPolarHBondContact O-CB 3.19Å; A332-A336 PolarHBondContact O-N 2.97Å; A332-T454 HydrophobicContact CB-CG2 3.72Å; A332-T454 WeakPolarHBondContact CB-O 3.47Å
333	L	98.9	Very high	98.8	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-45.2	174.1	-69.3	178.8	0	0	0	111.7	M329 A330 D335 A336 G337 V338 P340 I343 L367 F368 L442	M329-L333 WeakPolarHBondContact O-CG 3.42Å; M329-L333 PolarHBondContact O-N 3.27Å; A330-L333 PolarHBondContact O-N 3.4Å; L333-D335 PolarHBondContact O-N 3.45Å; L333-A336 CarbonylContact O-C 3.53Å; L333-A336 PolarHBondContact O-N 3.45Å; L333-G337 PolarHBondContact O-N 3.46Å; L333-V338 HydrophobicContact CD2-CB 4.41Å; L333-V338 HydrophobicContact CD2-CG1 4.18Å; L333-V338 PolarHBondContact O-N 3.01Å; L333-P340 HydrophobicContact CD1-CB 4.4Å; L333-P340 HydrophobicContact CD1-CG 4.03Å; L333-I343 HydrophobicContact CD2-CD1 3.61Å; L333-I343 HydrophobicContact CD2-CG1 3.71Å; L333-L367 HydrophobicContact CD1-CD2 4.12Å; L333-F368 HydrophobicContact CD1-CE1 4.35Å; L333-F368 HydrophobicContact CD1-CZ 4.26Å; L333-L442 HydrophobicContact CD2-CD1 4.28Å; L333-L442 HydrophobicContact CD2-CD2 4.13Å
334	K	98.9	Very high	98.8	Very high	178 Å²	178	43.9 Å²	43.9	77%	0.774	24%	0.239	S	C	*	.	H	α-helix	trans	-61.3	-43.7	176.7	-177.2	-179.2	177.9	-178.1	0	112.1	A330 A331 A336 G337	A330-K334 VanDerWaalsContact O-CB 3.31Å; A330-K334 WeakPolarHBondContact O-CB 3.39Å; A330-K334 PolarHBondContact O-N 2.9Å; A331-K334 PolarHBondContact O-N 3.04Å; K334-A336 VanDerWaalsContact C-N 3.31Å; K334-G337 PolarHBondContact O-N 2.86Å
335	D	98.8	Very high	98.8	Very high	62 Å²	62	43.9 Å²	43.9	33%	0.332	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-39.2	177.1	-166.3	48.3	0	0	0	111.5	R222 G305 Y306 A331 A332 L333 G337	R222-D335 IonicContact CZ-OD2 2.64Å; R222-D335 IonicContact NE-OD2 2.94Å; R222-D335 VanDerWaalsContact NH2-CG 3.25Å; R222-D335 IonicContact NH2-OD1 2.8Å; R222-D335 PolarHBondContact NH2-OD1 3.33Å; R222-D335 IonicContact NH2-OD2 3.46Å; R222-D335 PolarHBondContact NH2-OD2 3.18Å; G305-D335 WeakPolarHBondContact CA-OD2 3.38Å; Y306-D335 PolarHBondContact N-OD2 3.45Å; A331-D335 WeakPolarHBondContact O-CB 3.32Å; A331-D335 PolarHBondContact O-N 3.44Å; A332-D335 PolarHBondContact O-N 2.94Å; L333-D335 PolarHBondContact O-N 3.45Å; D335-G337 VanDerWaalsContact C-N 3.27Å; D335-G337 PolarHBondContact O-N 3.45Å
336	A	98.6	Very high	98.8	Very high	21 Å²	21	43.6 Å²	43.6	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-72.3	-16.1	176.1	0	0	0	0	0	114.3	L304 A332 L333 K334 V338 C456	L304-A336 HydrophobicContact CB-CB 3.63Å; L304-A336 WeakPolarHBondContact O-CA 3.41Å; A332-A336 WeakPolarHBondContact O-CB 3.19Å; A332-A336 PolarHBondContact O-N 2.97Å; L333-A336 CarbonylContact O-C 3.53Å; L333-A336 PolarHBondContact O-N 3.45Å; K334-A336 VanDerWaalsContact C-N 3.31Å; A336-V338 HydrophobicContact CB-CB 4.05Å; A336-V338 HydrophobicContact CB-CG2 3.72Å; A336-V338 PolarHBondContact O-N 2.98Å; A336-C456 HydrophobicContact CB-CB 4.02Å
337	G	98.4	Very high	98.8	Very high	63 Å²	63	42.6 Å²	42.6	65%	0.649	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	27.1	-169.6	0	0	0	0	0	113.3	L333 K334 D335	L333-G337 PolarHBondContact O-N 3.46Å; K334-G337 PolarHBondContact O-N 2.86Å; D335-G337 VanDerWaalsContact C-N 3.27Å; D335-G337 PolarHBondContact O-N 3.45Å
338	V	98.7	Very high	98.8	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.079	21%	0.211	C	C	.	.			trans	-108.4	137.7	-174.2	173.2	0	0	0	0	109.9	L304 L333 A336 E342 I343 I440	L304-V338 HydrophobicContact CD1-CG2 4.1Å; L333-V338 HydrophobicContact CD2-CB 4.41Å; L333-V338 HydrophobicContact CD2-CG1 4.18Å; L333-V338 PolarHBondContact O-N 3.01Å; A336-V338 HydrophobicContact CB-CB 4.05Å; A336-V338 HydrophobicContact CB-CG2 3.72Å; A336-V338 PolarHBondContact O-N 2.98Å; V338-E342 HydrophobicContact CG1-CB 3.77Å; V338-E342 HydrophobicContact CG1-CG 4.49Å; V338-I343 HydrophobicContact CG1-CD1 4.03Å; V338-I440 HydrophobicContact CG1-CD1 3.83Å; V338-I440 HydrophobicContact CG1-CG2 4.5Å; V338-I440 HydrophobicContact CG2-CD1 4.01Å
339	Q	98.6	Very high	98.8	Very high	116 Å²	116	38.1 Å²	38.1	54%	0.542	22%	0.215	S	C	.	.			trans	-83	151.5	174	-58.2	-56	-46.3	0	0	111.6	E341 E342	Q339-E341 WeakPolarHBondContact CB-OE2 3.16Å; Q339-E341 PolarHBondContact O-N 2.92Å; Q339-E341 VanDerWaalsContact O-N 3.13Å; Q339-E342 HydrophobicContact CB-CG 4.33Å; Q339-E342 PolarHBondContact N-OE1 3.3Å; Q339-E342 WeakPolarHBondContact O-CB 3.45Å; Q339-E342 PolarHBondContact O-N 3.14Å
340	P	98.7	Very high	98.8	Very high	23 Å²	23	38.1 Å²	38.1	15%	0.149	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-50.7	-37.6	176.4	-27.5	35.4	0	0	0	113.8	L333 E342 I343 F368 H371	L333-P340 HydrophobicContact CD1-CB 4.4Å; L333-P340 HydrophobicContact CD1-CG 4.03Å; P340-E342 PolarHBondContact O-N 3.36Å; P340-E342 VanDerWaalsContact O-N 3.15Å; P340-I343 PolarHBondContact O-N 3.01Å; P340-F368 HydrophobicContact CB-CD1 3.65Å; P340-F368 HydrophobicContact CB-CE1 3.89Å; P340-F368 WeakPolarHBondContact O-CD1 3.43Å; P340-F368 WeakPolarHBondContact O-CE1 3.42Å; P340-H371 PolarHBondContact O-CD2 2.89Å; P340-H371 PolarHBondContact O-NE2 3.3Å
341	E	98.6	Very high	98.8	Very high	121 Å²	121	36.9 Å²	36.9	57%	0.565	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-68.1	-9.6	-177.8	-61.4	75.1	-164.5	0	0	114.2	Q339 H371	Q339-E341 WeakPolarHBondContact CB-OE2 3.16Å; Q339-E341 PolarHBondContact O-N 2.92Å; Q339-E341 VanDerWaalsContact O-N 3.13Å; E341-H371 HydrophobicContact CG-CB 4.43Å; E341-H371 PolarHBondContact O-CE1 3.25Å; E341-H371 PolarHBondContact O-NE2 3.48Å
342	E	98.6	Very high	98.8	Very high	93 Å²	93	35.2 Å²	35.2	44%	0.435	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-93.4	-11.7	178.1	-59	-179.9	-98.8	0	0	112.4	V338 Q339 P340 S344 I440	V338-E342 HydrophobicContact CG1-CB 3.77Å; V338-E342 HydrophobicContact CG1-CG 4.49Å; Q339-E342 HydrophobicContact CB-CG 4.33Å; Q339-E342 PolarHBondContact N-OE1 3.3Å; Q339-E342 WeakPolarHBondContact O-CB 3.45Å; Q339-E342 PolarHBondContact O-N 3.14Å; P340-E342 PolarHBondContact O-N 3.36Å; P340-E342 VanDerWaalsContact O-N 3.15Å; E342-S344 PolarHBondContact O-N 3.06Å; E342-I440 HydrophobicContact CB-CD1 4.12Å
343	I	98.9	Very high	98.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.197	C	C	.	.			trans	-73.6	127.2	-179.9	-61.5	-52.3	0	0	0	110.4	L333 V338 P340 I346 F368 H371 L375 I440 L442	L333-I343 HydrophobicContact CD2-CD1 3.61Å; L333-I343 HydrophobicContact CD2-CG1 3.71Å; V338-I343 HydrophobicContact CG1-CD1 4.03Å; P340-I343 PolarHBondContact O-N 3.01Å; I343-I346 HydrophobicContact CG2-CG1 4.08Å; I343-F368 HydrophobicContact CB-CE1 3.7Å; I343-F368 HydrophobicContact CB-CZ 4.28Å; I343-F368 HydrophobicContact CG1-CE1 3.61Å; I343-F368 HydrophobicContact CG1-CZ 4.04Å; I343-F368 HydrophobicContact CG2-CE1 4.14Å; I343-F368 HydrophobicContact CG2-CZ 4.29Å; I343-H371 PolarHBondContact O-NE2 2.87Å; I343-L375 HydrophobicContact CG2-CD2 4.21Å; I343-I440 HydrophobicContact CD1-CB 4.06Å; I343-I440 HydrophobicContact CD1-CG2 3.5Å; I343-I440 VanDerWaalsContact CD1-CG2 3.5Å; I343-L442 HydrophobicContact CD1-CD2 3.98Å; I343-L442 HydrophobicContact CD1-CG 4Å; I343-L442 HydrophobicContact CG1-CD1 4.38Å; I343-L442 HydrophobicContact CG1-CG 4.29Å; I343-L442 HydrophobicContact CG2-CG 4.24Å
344	S	98.9	Very high	98.8	Very high	15 Å²	15	39.2 Å²	39.2	11%	0.105	22%	0.216	C	C	.	.			trans	-96.8	-36.6	178.1	-62.5	0	0	0	0	112.1	E342 A376 I440	E342-S344 PolarHBondContact O-N 3.06Å; S344-A376 PolarHBondContact O-N 2.85Å; S344-I440 PolarHBondContact N-O 2.61Å
345	Y	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.6	-170.7	174.5	-122.5	0	0	0	112.5	N347 A376 S378 T399 A402 L408 P409 F439 I440 G441 L442	Y345-N347 HydrophobicContact CE1-CB 3.89Å; Y345-N347 PolarHBondContact OH-ND2 2.98Å; Y345-A376 CarbonylContact C-O 3.54Å; Y345-A376 VanDerWaalsContact CA-O 3.29Å; Y345-A376 WeakPolarHBondContact CA-O 3.27Å; Y345-A376 HydrophobicContact CD2-CB 4.39Å; Y345-A376 WeakPolarHBondContact CD2-O 3.34Å; Y345-S378 WeakPolarHBondContact CE2-OG 3.5Å; Y345-S378 PolarHBondContact OH-OG 3Å; Y345-T399 HydrophobicContact CD1-CG2 4.48Å; Y345-A402 HydrophobicContact CD1-CB 4.06Å; Y345-A402 HydrophobicContact CE1-CB 4.06Å; Y345-L408 HydrophobicContact CD1-CD2 4.21Å; Y345-L408 HydrophobicContact CD2-CD1 4.16Å; Y345-L408 HydrophobicContact CD2-CD2 3.8Å; Y345-L408 HydrophobicContact CD2-CG 4.42Å; Y345-L408 HydrophobicContact CE2-CD2 4.39Å; Y345-L408 HydrophobicContact CG-CD2 3.71Å; Y345-P409 WeakPolarHBondContact OH-CG 3.3Å; Y345-F439 HydrophobicContact CG-CZ 4.43Å; Y345-I440 PolarHBondContact N-O 2.98Å; Y345-G441 CarbonylContact O-C 3.55Å; Y345-G441 WeakPolarHBondContact O-CA 3.49Å; Y345-L442 PolarHBondContact O-N 3.02Å
346	I	99	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.4	168.9	-54.5	-179.8	0	0	0	108.7	I343 A348 I364 F368 L375 A376 V377 S378 L442	I343-I346 HydrophobicContact CG2-CG1 4.08Å; I346-A348 PolarHBondContact O-N 3.24Å; I346-I364 HydrophobicContact CD1-CD1 4.12Å; I346-I364 HydrophobicContact CD1-CG1 4.05Å; I346-I364 HydrophobicContact CD1-CG2 3.96Å; I346-I364 HydrophobicContact CG2-CD1 4.28Å; I346-F368 HydrophobicContact CD1-CD2 4.17Å; I346-F368 HydrophobicContact CD1-CE2 3.59Å; I346-F368 HydrophobicContact CD1-CZ 4.01Å; I346-L375 HydrophobicContact CD1-CD1 4.08Å; I346-L375 HydrophobicContact CD1-CD2 4.04Å; I346-L375 HydrophobicContact CG1-CD1 4.34Å; I346-A376 PolarHBondContact N-O 3.18Å; I346-V377 HydrophobicContact CB-CG1 4.41Å; I346-V377 HydrophobicContact CB-CG2 4.29Å; I346-V377 CarbonylContact O-C 3.58Å; I346-V377 WeakPolarHBondContact O-CA 3.46Å; I346-S378 PolarHBondContact O-N 2.84Å; I346-L442 CarbonylContact C-O 3.58Å; I346-L442 WeakPolarHBondContact CA-O 3.3Å; I346-L442 HydrophobicContact CG1-CB 4.3Å; I346-L442 HydrophobicContact CG2-CB 4.45Å
347	N	98.9	Very high	98.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	104.7	159.8	-167.5	-56.8	0	0	0	108	Y345 S378 E395 T399 L442 T443 N444	Y345-N347 HydrophobicContact CE1-CB 3.89Å; Y345-N347 PolarHBondContact OH-ND2 2.98Å; N347-S378 WeakPolarHBondContact CA-O 3.39Å; N347-E395 WeakPolarHBondContact OD1-CG 3.02Å; N347-T399 WeakPolarHBondContact CB-OG1 3.22Å; N347-L442 PolarHBondContact N-O 3.14Å; N347-T443 WeakPolarHBondContact O-CA 3.48Å; N347-N444 PolarHBondContact O-N 2.69Å
348	A	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.			trans	-76.6	149.7	-172.5	0	0	0	0	0	112.1	F268 I346 A350 E360 V377 S378 K381	F268-A348 HydrophobicContact CZ-CB 3.78Å; I346-A348 PolarHBondContact O-N 3.24Å; A348-A350 VanDerWaalsContact C-N 3.26Å; A348-A350 HydrophobicContact CB-CB 4.14Å; A348-A350 PolarHBondContact O-N 3.41Å; A348-E360 WeakPolarHBondContact CA-OE1 3.48Å; A348-V377 HydrophobicContact CB-CG1 3.73Å; A348-S378 PolarHBondContact N-O 3.36Å; A348-K381 PolarHBondContact O-NZ 2.92Å
349	H	98.9	Very high	98.8	Very high	15 Å²	15	30 Å²	30	7%	0.069	16%	0.162	C	C	.	.			trans	-66.7	-32	170.3	-174.5	55.5	0	0	0	112	T351 E360 K381 H386 N444 F446	H349-T351 VanDerWaalsContact NE2-CG2 3.27Å; H349-T351 WeakPolarHBondContact NE2-CG2 3.38Å; H349-T351 VanDerWaalsContact O-CG2 3.28Å; H349-T351 WeakPolarHBondContact O-CG2 3.43Å; H349-T351 PolarHBondContact O-N 2.77Å; H349-T351 VanDerWaalsContact O-N 3.16Å; H349-E360 WeakPolarHBondContact CA-OE2 3.28Å; H349-E360 VanDerWaalsContact N-CD 3.32Å; H349-E360 PolarHBondContact N-OE1 3.37Å; H349-E360 PolarHBondContact N-OE2 2.83Å; H349-K381 WeakPolarHBondContact O-CD 3.39Å; H349-K381 WeakPolarHBondContact O-CE 3.46Å; H349-K381 PolarHBondContact O-NZ 2.88Å; H349-H386 AromaticContact CE1-NE2 3.83Å; H349-N444 HydrophobicContact CB-CB 4.21Å; H349-F446 HydrophobicContact CB-CD2 3.7Å; H349-F446 HydrophobicContact CB-CE2 4.03Å; H349-F446 HydrophobicContact CB-CG 4.24Å; H349-F446 PolarHBondContact CD2-O 3.32Å; H349-F446 PolarHBondContact CE1-O 2.87Å; H349-F446 PolarHBondContact NE2-O 3.36Å
350	A	98.8	Very high	98.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.137	C	C	.	.			trans	-23.4	107.5	-173.9	0	0	0	0	0	113.9	P267 F268 A348 D357 E360 S379	P267-A350 HydrophobicContact CB-CB 4.14Å; F268-A350 HydrophobicContact CD1-CB 4.12Å; F268-A350 HydrophobicContact CE1-CB 3.3Å; F268-A350 HydrophobicContact CE2-CB 3.93Å; F268-A350 HydrophobicContact CZ-CB 3.19Å; A348-A350 VanDerWaalsContact C-N 3.26Å; A348-A350 HydrophobicContact CB-CB 4.14Å; A348-A350 PolarHBondContact O-N 3.41Å; A350-D357 WeakPolarHBondContact CA-OD1 3.22Å; A350-D357 HydrophobicContact CB-CB 4.31Å; A350-E360 WeakPolarHBondContact CA-OE2 3.32Å; A350-E360 PolarHBondContact N-OE2 3.02Å; A350-S379 WeakPolarHBondContact O-CB 3.37Å; A350-S379 PolarHBondContact O-OG 3.39Å
351	T	98.7	Very high	98.8	Very high	10 Å²	10	23.6 Å²	23.6	6%	0.061	13%	0.131	C	C	.	.			trans	-97.1	9	-168.5	53.1	0	0	0	0	112.5	F275 H349 T353 D357 K381	F275-T351 WeakPolarHBondContact CA-O 3.41Å; F275-T351 WeakPolarHBondContact CB-O 3.31Å; H349-T351 VanDerWaalsContact NE2-CG2 3.27Å; H349-T351 WeakPolarHBondContact NE2-CG2 3.38Å; H349-T351 VanDerWaalsContact O-CG2 3.28Å; H349-T351 WeakPolarHBondContact O-CG2 3.43Å; H349-T351 PolarHBondContact O-N 2.77Å; H349-T351 VanDerWaalsContact O-N 3.16Å; T351-T353 VanDerWaalsContact OG1-CG2 3.28Å; T351-T353 WeakPolarHBondContact OG1-CG2 3.48Å; T351-T353 PolarHBondContact OG1-OG1 3.45Å; T351-D357 PolarHBondContact N-OD1 3.45Å; T351-K381 HydrophobicContact CG2-CD 3.81Å
352	S	98.8	Very high	98.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	69.4	34.4	-170.2	-170.3	0	0	0	0	112.1	R266 R272 G274 D357	R266-S352 PolarHBondContact N-OG 3.17Å; R266-S352 PolarHBondContact O-OG 3.19Å; R272-S352 WeakPolarHBondContact CB-O 3.47Å; G274-S352 CarbonylContact C-O 3.53Å; G274-S352 VanDerWaalsContact C-O 3.29Å; G274-S352 WeakPolarHBondContact CA-O 3.46Å; G274-S352 PolarHBondContact N-O 3.41Å; G274-S352 VanDerWaalsContact O-O 3.05Å; S352-D357 VanDerWaalsContact CA-OD2 3.3Å; S352-D357 WeakPolarHBondContact CA-OD2 3.16Å; S352-D357 PolarHBondContact N-OD1 3.42Å; S352-D357 PolarHBondContact N-OD2 3.04Å
353	T	98.7	Very high	98.8	Very high	26 Å²	26	16.8 Å²	16.8	16%	0.16	10%	0.098	C	C	.	.			trans	-106.8	144.3	175.6	60	0	0	0	0	110.9	R272 T351 L355 G356 D357	R272-T353 WeakPolarHBondContact CD-O 3.26Å; R272-T353 PolarHBondContact NE-O 3.33Å; R272-T353 VanDerWaalsContact NE-O 3.14Å; T351-T353 VanDerWaalsContact OG1-CG2 3.28Å; T351-T353 WeakPolarHBondContact OG1-CG2 3.48Å; T351-T353 PolarHBondContact OG1-OG1 3.45Å; T353-L355 PolarHBondContact O-N 3.17Å; T353-G356 WeakPolarHBondContact OG1-CA 3.45Å; T353-G356 PolarHBondContact OG1-N 3.08Å; T353-D357 PolarHBondContact N-OD1 3.04Å; T353-D357 WeakPolarHBondContact O-CB 3.43Å; T353-D357 VanDerWaalsContact O-CG 3.32Å; T353-D357 PolarHBondContact O-N 3.27Å
354	P	98.6	Very high	98.8	Very high	65 Å²	65	16.7 Å²	16.7	42%	0.422	10%	0.098	S	C	.	.	H	α-helix	trans	-54.9	-52.2	-179.7	-29.4	35.6	0	0	0	113.6	R272 A358	R272-P354 PolarHBondContact NH2-O 3Å; P354-A358 WeakPolarHBondContact O-CB 3.42Å
355	L	98.4	Very high	98.8	Very high	107 Å²	107	18.6 Å²	18.6	56%	0.56	10%	0.104	S	C	*	.	H	α-helix	trans	-77	-42.8	-176.3	-62.6	177.8	0	0	0	112.9	P318 T353 A359	P318-L355 HydrophobicContact CG-CB 4.08Å; T353-L355 PolarHBondContact O-N 3.17Å; L355-A359 VanDerWaalsContact O-CB 3.26Å; L355-A359 WeakPolarHBondContact O-CB 3.48Å; L355-A359 PolarHBondContact O-N 2.88Å
356	G	98.6	Very high	98.8	Very high	17 Å²	17	24.7 Å²	24.7	18%	0.175	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-49.3	-174.5	0	0	0	0	0	112.7	T353 A358 A359 E360	T353-G356 WeakPolarHBondContact OG1-CA 3.45Å; T353-G356 PolarHBondContact OG1-N 3.08Å; G356-A358 VanDerWaalsContact C-N 3.31Å; G356-A358 PolarHBondContact O-N 3.12Å; G356-A359 PolarHBondContact O-N 2.81Å; G356-E360 PolarHBondContact O-N 3.48Å
357	D	98.8	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-38.9	-179.2	-63.7	25.8	0	0	0	111.2	P267 F268 R272 A350 T351 S352 T353 N361 F421	P267-D357 VanDerWaalsContact CA-OD2 3.26Å; P267-D357 WeakPolarHBondContact CA-OD2 3.32Å; F268-D357 HydrophobicContact CD1-CB 4.06Å; F268-D357 HydrophobicContact CE1-CB 4.42Å; F268-D357 PolarHBondContact N-OD2 3.01Å; R272-D357 WeakPolarHBondContact CD-OD2 3.39Å; A350-D357 WeakPolarHBondContact CA-OD1 3.22Å; A350-D357 HydrophobicContact CB-CB 4.31Å; T351-D357 PolarHBondContact N-OD1 3.45Å; S352-D357 VanDerWaalsContact CA-OD2 3.3Å; S352-D357 WeakPolarHBondContact CA-OD2 3.16Å; S352-D357 PolarHBondContact N-OD1 3.42Å; S352-D357 PolarHBondContact N-OD2 3.04Å; T353-D357 PolarHBondContact N-OD1 3.04Å; T353-D357 WeakPolarHBondContact O-CB 3.43Å; T353-D357 VanDerWaalsContact O-CG 3.32Å; T353-D357 PolarHBondContact O-N 3.27Å; D357-N361 VanDerWaalsContact O-CB 3.3Å; D357-N361 WeakPolarHBondContact O-CB 3.04Å; D357-N361 PolarHBondContact O-N 3.2Å; D357-F421 HydrophobicContact CB-CE1 4.4Å; D357-F421 HydrophobicContact CB-CZ 4.44Å
358	A	98.8	Very high	98.8	Very high	14 Å²	14	26.2 Å²	26.2	12%	0.116	14%	0.14	C	C	.	.	H	α-helix	trans	-68.3	-44.5	177.4	0	0	0	0	0	112.2	P354 G356 N361 K362 F421	P354-A358 WeakPolarHBondContact O-CB 3.42Å; G356-A358 VanDerWaalsContact C-N 3.31Å; G356-A358 PolarHBondContact O-N 3.12Å; A358-N361 PolarHBondContact O-N 3.24Å; A358-K362 WeakPolarHBondContact O-CG 3.26Å; A358-K362 PolarHBondContact O-N 3.16Å; A358-F421 HydrophobicContact CB-CZ 4Å
359	A	98.8	Very high	98.8	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-43.1	177.4	0	0	0	0	0	112.1	P318 D319 L355 G356 K362 A363	P318-A359 HydrophobicContact CG-CB 4.48Å; D319-A359 VanDerWaalsContact O-CB 3.22Å; D319-A359 WeakPolarHBondContact O-CB 3.3Å; L355-A359 VanDerWaalsContact O-CB 3.26Å; L355-A359 WeakPolarHBondContact O-CB 3.48Å; L355-A359 PolarHBondContact O-N 2.88Å; G356-A359 PolarHBondContact O-N 2.81Å; A359-K362 PolarHBondContact O-N 2.82Å; A359-A363 WeakPolarHBondContact O-CB 3.27Å; A359-A363 PolarHBondContact O-N 3.47Å
360	E	98.9	Very high	98.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-41.9	175.7	-179.7	168	-148.8	0	0	111.9	A348 H349 A350 G356 K362 A363 I364 N444 F446	A348-E360 WeakPolarHBondContact CA-OE1 3.48Å; H349-E360 WeakPolarHBondContact CA-OE2 3.28Å; H349-E360 VanDerWaalsContact N-CD 3.32Å; H349-E360 PolarHBondContact N-OE1 3.37Å; H349-E360 PolarHBondContact N-OE2 2.83Å; A350-E360 WeakPolarHBondContact CA-OE2 3.32Å; A350-E360 PolarHBondContact N-OE2 3.02Å; G356-E360 PolarHBondContact O-N 3.48Å; E360-K362 PolarHBondContact O-N 3.25Å; E360-A363 WeakPolarHBondContact O-CB 3.43Å; E360-A363 PolarHBondContact O-N 2.76Å; E360-I364 HydrophobicContact CG-CD1 3.95Å; E360-I364 HydrophobicContact CG-CG1 4.4Å; E360-I364 WeakPolarHBondContact O-CG1 3.43Å; E360-I364 PolarHBondContact O-N 2.92Å; E360-N444 VanDerWaalsContact OE1-CB 3.3Å; E360-N444 WeakPolarHBondContact OE1-CB 3.28Å; E360-N444 PolarHBondContact OE1-ND2 3.37Å; E360-F446 HydrophobicContact CB-CE2 4.04Å; E360-F446 HydrophobicContact CG-CE2 3.76Å; E360-F446 WeakPolarHBondContact OE1-CE2 3.49Å
361	N	98.9	Very high	98.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-46.9	175.4	-179.5	64.5	0	0	0	111.8	D357 A358 A363 I364 K365 E420 F421 Y425	D357-N361 VanDerWaalsContact O-CB 3.3Å; D357-N361 WeakPolarHBondContact O-CB 3.04Å; D357-N361 PolarHBondContact O-N 3.2Å; A358-N361 PolarHBondContact O-N 3.24Å; N361-A363 VanDerWaalsContact C-N 3.33Å; N361-A363 PolarHBondContact O-N 3.07Å; N361-I364 PolarHBondContact O-N 3.2Å; N361-K365 WeakPolarHBondContact O-CG 3.45Å; N361-K365 PolarHBondContact O-N 3.16Å; N361-E420 PolarHBondContact ND2-O 2.8Å; N361-F421 HydrophobicContact CB-CD1 3.92Å; N361-F421 HydrophobicContact CB-CE1 3.67Å; N361-Y425 PolarHBondContact OD1-OH 2.69Å
362	K	98.9	Very high	98.8	Very high	71 Å²	71	40.6 Å²	40.6	31%	0.309	21%	0.209	S	C	.	.	H	α-helix	trans	-57.8	-45.2	173.8	-73.8	178.2	177.9	-173.7	0	111.8	P320 E321 A358 A359 E360 I364 K365 H366	P320-K362 WeakPolarHBondContact O-CD 3.28Å; P320-K362 PolarHBondContact O-NZ 3.36Å; E321-K362 IonicContact OE1-NZ 2.82Å; E321-K362 PolarHBondContact OE1-NZ 2.91Å; E321-K362 IonicContact OE2-NZ 3Å; E321-K362 PolarHBondContact OE2-NZ 3.13Å; A358-K362 WeakPolarHBondContact O-CG 3.26Å; A358-K362 PolarHBondContact O-N 3.16Å; A359-K362 PolarHBondContact O-N 2.82Å; E360-K362 PolarHBondContact O-N 3.25Å; K362-I364 PolarHBondContact O-N 3.28Å; K362-K365 PolarHBondContact O-N 2.76Å; K362-H366 VanDerWaalsContact O-CB 3.27Å; K362-H366 WeakPolarHBondContact O-CB 3.45Å; K362-H366 PolarHBondContact O-N 2.87Å
363	A	98.9	Very high	98.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-43.1	179.7	0	0	0	0	0	112.3	A325 V326 M329 A359 E360 N361 H366 L367	A325-A363 HydrophobicContact CB-CB 3.68Å; V326-A363 HydrophobicContact CG2-CB 3.63Å; M329-A363 HydrophobicContact CE-CB 3.8Å; A359-A363 WeakPolarHBondContact O-CB 3.27Å; A359-A363 PolarHBondContact O-N 3.47Å; E360-A363 WeakPolarHBondContact O-CB 3.43Å; E360-A363 PolarHBondContact O-N 2.76Å; N361-A363 VanDerWaalsContact C-N 3.33Å; N361-A363 PolarHBondContact O-N 3.07Å; A363-H366 PolarHBondContact O-N 3.42Å; A363-L367 WeakPolarHBondContact O-CB 3.25Å; A363-L367 PolarHBondContact O-N 3.33Å
364	I	98.9	Very high	98.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-51.6	176	-67.7	169.4	0	0	0	109.8	M329 I346 E360 N361 K362 H366 L367 F368 V377 L423	M329-I364 HydrophobicContact CE-CG1 4.18Å; M329-I364 HydrophobicContact SD-CG1 4.22Å; I346-I364 HydrophobicContact CD1-CD1 4.12Å; I346-I364 HydrophobicContact CD1-CG1 4.05Å; I346-I364 HydrophobicContact CD1-CG2 3.96Å; I346-I364 HydrophobicContact CG2-CD1 4.28Å; E360-I364 HydrophobicContact CG-CD1 3.95Å; E360-I364 HydrophobicContact CG-CG1 4.4Å; E360-I364 WeakPolarHBondContact O-CG1 3.43Å; E360-I364 PolarHBondContact O-N 2.92Å; N361-I364 PolarHBondContact O-N 3.2Å; K362-I364 PolarHBondContact O-N 3.28Å; I364-H366 VanDerWaalsContact C-N 3.28Å; I364-H366 PolarHBondContact O-N 3.26Å; I364-L367 PolarHBondContact O-N 2.94Å; I364-F368 HydrophobicContact CG2-CD2 3.94Å; I364-F368 WeakPolarHBondContact O-CB 3.48Å; I364-F368 WeakPolarHBondContact O-CD2 3.12Å; I364-F368 PolarHBondContact O-N 2.86Å; I364-V377 HydrophobicContact CD1-CG1 4.09Å; I364-V377 HydrophobicContact CD1-CG2 4.2Å; I364-V377 HydrophobicContact CG2-CG2 4.45Å; I364-L423 HydrophobicContact CG2-CD1 3.84Å
365	K	98.9	Very high	98.8	Very high	54 Å²	54	44.7 Å²	44.7	24%	0.235	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-39.3	179.8	-68	-176.8	74.7	162.3	0	112.3	N361 K362 K369 Y373 D422 L423	N361-K365 WeakPolarHBondContact O-CG 3.45Å; N361-K365 PolarHBondContact O-N 3.16Å; K362-K365 PolarHBondContact O-N 2.76Å; K365-K369 VanDerWaalsContact O-CA 3.29Å; K365-K369 WeakPolarHBondContact O-CA 3.19Å; K365-K369 PolarHBondContact O-N 3.38Å; K365-Y373 VanDerWaalsContact CE-OH 3.27Å; K365-Y373 WeakPolarHBondContact CE-OH 3.21Å; K365-Y373 PolarHBondContact NZ-OH 3.25Å; K365-D422 WeakPolarHBondContact CE-OD1 3.29Å; K365-D422 IonicContact NZ-OD1 3.67Å; K365-D422 PolarHBondContact NZ-OD1 2.65Å; K365-D422 IonicContact NZ-OD2 3.94Å; K365-D422 PolarHBondContact NZ-OD2 3.33Å; K365-L423 HydrophobicContact CD-CD2 4.39Å; K365-L423 HydrophobicContact CG-CD1 4.08Å; K365-L423 HydrophobicContact CG-CD2 4.12Å; K365-L423 HydrophobicContact CG-CG 4.36Å
366	H	98.8	Very high	98.8	Very high	128 Å²	128	39.6 Å²	39.6	59%	0.593	20%	0.199	S	C	*	.	H	α-helix	trans	-66.1	-48.6	177.9	-176.9	-176	0	0	0	111.7	V326 K362 A363 I364	V326-H366 HydrophobicContact CG2-CB 4.33Å; K362-H366 VanDerWaalsContact O-CB 3.27Å; K362-H366 WeakPolarHBondContact O-CB 3.45Å; K362-H366 PolarHBondContact O-N 2.87Å; A363-H366 PolarHBondContact O-N 3.42Å; I364-H366 VanDerWaalsContact C-N 3.28Å; I364-H366 PolarHBondContact O-N 3.26Å
367	L	98.8	Very high	98.8	Very high	31 Å²	31	38.8 Å²	38.8	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-69.9	-44	-176.5	-179.4	58.5	0	0	0	112.5	V326 M329 A330 L333 A363 I364	V326-L367 HydrophobicContact CG1-CB 4.47Å; M329-L367 HydrophobicContact CB-CD2 3.36Å; M329-L367 HydrophobicContact CE-CD2 4.2Å; M329-L367 HydrophobicContact CG-CD2 4.45Å; M329-L367 HydrophobicContact SD-CD2 4.41Å; A330-L367 HydrophobicContact CB-CD1 4Å; L333-L367 HydrophobicContact CD1-CD2 4.12Å; A363-L367 WeakPolarHBondContact O-CB 3.25Å; A363-L367 PolarHBondContact O-N 3.33Å; I364-L367 PolarHBondContact O-N 2.94Å
368	F	98.8	Very high	98.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-93.5	-13.8	-172.5	-67.5	-82.4	0	0	0	113.9	M329 L333 P340 I343 I346 I364 D370 H371 A372 L375 L442	M329-F368 HydrophobicContact SD-CE2 4.27Å; L333-F368 HydrophobicContact CD1-CE1 4.35Å; L333-F368 HydrophobicContact CD1-CZ 4.26Å; P340-F368 HydrophobicContact CB-CD1 3.65Å; P340-F368 HydrophobicContact CB-CE1 3.89Å; P340-F368 WeakPolarHBondContact O-CD1 3.43Å; P340-F368 WeakPolarHBondContact O-CE1 3.42Å; I343-F368 HydrophobicContact CB-CE1 3.7Å; I343-F368 HydrophobicContact CB-CZ 4.28Å; I343-F368 HydrophobicContact CG1-CE1 3.61Å; I343-F368 HydrophobicContact CG1-CZ 4.04Å; I343-F368 HydrophobicContact CG2-CE1 4.14Å; I343-F368 HydrophobicContact CG2-CZ 4.29Å; I346-F368 HydrophobicContact CD1-CD2 4.17Å; I346-F368 HydrophobicContact CD1-CE2 3.59Å; I346-F368 HydrophobicContact CD1-CZ 4.01Å; I364-F368 HydrophobicContact CG2-CD2 3.94Å; I364-F368 WeakPolarHBondContact O-CB 3.48Å; I364-F368 WeakPolarHBondContact O-CD2 3.12Å; I364-F368 PolarHBondContact O-N 2.86Å; F368-D370 PolarHBondContact O-N 3.42Å; F368-H371 WeakPolarHBondContact O-CA 3.46Å; F368-H371 VanDerWaalsContact O-CB 3.25Å; F368-H371 WeakPolarHBondContact O-CB 3.45Å; F368-H371 PolarHBondContact O-N 2.88Å; F368-A372 HydrophobicContact CB-CB 3.91Å; F368-A372 PolarHBondContact O-N 2.92Å; F368-L375 HydrophobicContact CB-CD2 4.11Å; F368-L375 HydrophobicContact CD1-CD2 3.57Å; F368-L375 HydrophobicContact CD2-CD2 4.08Å; F368-L375 HydrophobicContact CE1-CD2 3.95Å; F368-L375 HydrophobicContact CE2-CD2 4.43Å; F368-L375 HydrophobicContact CG-CD2 3.64Å; F368-L375 HydrophobicContact CZ-CD2 4.36Å; F368-L442 HydrophobicContact CE2-CD1 4.37Å; F368-L442 HydrophobicContact CZ-CD1 3.71Å
369	K	98.7	Very high	98.8	Very high	150 Å²	150	38.1 Å²	38.1	65%	0.652	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	50.1	-127.8	178	-57.8	176.2	-179.3	172.2	0	111	K365 H371 A372	K365-K369 VanDerWaalsContact O-CA 3.29Å; K365-K369 WeakPolarHBondContact O-CA 3.19Å; K365-K369 PolarHBondContact O-N 3.38Å; K369-H371 PolarHBondContact O-N 3.03Å; K369-A372 WeakPolarHBondContact O-CB 3.16Å; K369-A372 PolarHBondContact O-N 3Å
370	D	98.7	Very high	98.8	Very high	143 Å²	143	38 Å²	38	77%	0.765	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-60.4	-31.2	178.9	-62	-17.3	0	0	0	112.2	F368 A372 Y373	F368-D370 PolarHBondContact O-N 3.42Å; D370-A372 PolarHBondContact O-N 2.76Å; D370-Y373 PolarHBondContact O-N 3.49Å
371	H	98.7	Very high	98.8	Very high	35 Å²	35	37.9 Å²	37.9	16%	0.162	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-68.3	-17.5	177.2	-168.1	70.6	0	0	0	113	P340 E341 I343 F368 K369 Y373 A374 L375	P340-H371 PolarHBondContact O-CD2 2.89Å; P340-H371 PolarHBondContact O-NE2 3.3Å; E341-H371 HydrophobicContact CG-CB 4.43Å; E341-H371 PolarHBondContact O-CE1 3.25Å; E341-H371 PolarHBondContact O-NE2 3.48Å; I343-H371 PolarHBondContact O-NE2 2.87Å; F368-H371 WeakPolarHBondContact O-CA 3.46Å; F368-H371 VanDerWaalsContact O-CB 3.25Å; F368-H371 WeakPolarHBondContact O-CB 3.45Å; F368-H371 PolarHBondContact O-N 2.88Å; K369-H371 PolarHBondContact O-N 3.03Å; H371-Y373 PolarHBondContact O-N 2.98Å; H371-Y373 VanDerWaalsContact O-N 3.12Å; H371-A374 PolarHBondContact O-N 3.39Å; H371-L375 WeakPolarHBondContact O-CG 3.29Å; H371-L375 PolarHBondContact O-N 3.26Å; H371-L375 VanDerWaalsContact O-N 3.14Å
372	A	98.8	Very high	98.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-57.3	-28.4	174.7	0	0	0	0	0	112.5	F368 K369 D370 L423	F368-A372 HydrophobicContact CB-CB 3.91Å; F368-A372 PolarHBondContact O-N 2.92Å; K369-A372 WeakPolarHBondContact O-CB 3.16Å; K369-A372 PolarHBondContact O-N 3Å; D370-A372 PolarHBondContact O-N 2.76Å; A372-L423 HydrophobicContact CB-CD1 4.39Å; A372-L423 HydrophobicContact CB-CD2 3.97Å
373	Y	98.7	Very high	98.8	Very high	121 Å²	121	34.4 Å²	34.4	48%	0.475	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-88.4	-9.4	177.8	-57.1	-84.7	0	0	0	113.5	K365 D370 H371 D422 L423	K365-Y373 VanDerWaalsContact CE-OH 3.27Å; K365-Y373 WeakPolarHBondContact CE-OH 3.21Å; K365-Y373 PolarHBondContact NZ-OH 3.25Å; D370-Y373 PolarHBondContact O-N 3.49Å; H371-Y373 PolarHBondContact O-N 2.98Å; H371-Y373 VanDerWaalsContact O-N 3.12Å; Y373-D422 HydrophobicContact CE1-CB 4.5Å; Y373-D422 PolarHBondContact OH-OD2 2.89Å; Y373-L423 HydrophobicContact CD1-CD2 3.75Å; Y373-L423 HydrophobicContact CE1-CD2 3.71Å; Y373-L423 HydrophobicContact CG-CD2 4.27Å
374	A	98.5	Very high	98.8	Very high	55 Å²	55	34.5 Å²	34.5	46%	0.455	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-16.2	178.1	0	0	0	0	0	112.9	H371 W433	H371-A374 PolarHBondContact O-N 3.39Å; A374-W433 VanDerWaalsContact O-CZ2 3.31Å; A374-W433 WeakPolarHBondContact O-CZ2 3.37Å
375	L	98.7	Very high	98.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.168	C	C	.	.	S	Bend	trans	-94	164	170.6	62.4	77.8	0	0	0	111.7	I343 I346 F368 H371 V377	I343-L375 HydrophobicContact CG2-CD2 4.21Å; I346-L375 HydrophobicContact CD1-CD1 4.08Å; I346-L375 HydrophobicContact CD1-CD2 4.04Å; I346-L375 HydrophobicContact CG1-CD1 4.34Å; F368-L375 HydrophobicContact CB-CD2 4.11Å; F368-L375 HydrophobicContact CD1-CD2 3.57Å; F368-L375 HydrophobicContact CD2-CD2 4.08Å; F368-L375 HydrophobicContact CE1-CD2 3.95Å; F368-L375 HydrophobicContact CE2-CD2 4.43Å; F368-L375 HydrophobicContact CG-CD2 3.64Å; F368-L375 HydrophobicContact CZ-CD2 4.36Å; H371-L375 WeakPolarHBondContact O-CG 3.29Å; H371-L375 PolarHBondContact O-N 3.26Å; H371-L375 VanDerWaalsContact O-N 3.14Å; L375-V377 HydrophobicContact CD1-CG2 3.5Å; L375-V377 VanDerWaalsContact CD1-CG2 3.5Å
376	A	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.6	170.7	0	0	0	0	0	111.1	S344 Y345 I346 L408 V426 W433	S344-A376 PolarHBondContact O-N 2.85Å; Y345-A376 CarbonylContact C-O 3.54Å; Y345-A376 VanDerWaalsContact CA-O 3.29Å; Y345-A376 WeakPolarHBondContact CA-O 3.27Å; Y345-A376 HydrophobicContact CD2-CB 4.39Å; Y345-A376 WeakPolarHBondContact CD2-O 3.34Å; I346-A376 PolarHBondContact N-O 3.18Å; A376-L408 HydrophobicContact CB-CD1 3.3Å; A376-V426 HydrophobicContact CB-CG2 3.98Å; A376-W433 HydrophobicContact CB-CE3 4.11Å; A376-W433 HydrophobicContact CB-CH2 4.01Å; A376-W433 HydrophobicContact CB-CZ2 4.48Å; A376-W433 HydrophobicContact CB-CZ3 3.82Å
377	V	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.9	174.9	-175.3	0	0	0	0	107.9	F268 I346 A348 I364 L375 L423 N424 Y425 V426	F268-V377 HydrophobicContact CZ-CG1 4.22Å; I346-V377 HydrophobicContact CB-CG1 4.41Å; I346-V377 HydrophobicContact CB-CG2 4.29Å; I346-V377 CarbonylContact O-C 3.58Å; I346-V377 WeakPolarHBondContact O-CA 3.46Å; A348-V377 HydrophobicContact CB-CG1 3.73Å; I364-V377 HydrophobicContact CD1-CG1 4.09Å; I364-V377 HydrophobicContact CD1-CG2 4.2Å; I364-V377 HydrophobicContact CG2-CG2 4.45Å; L375-V377 HydrophobicContact CD1-CG2 3.5Å; L375-V377 VanDerWaalsContact CD1-CG2 3.5Å; V377-L423 HydrophobicContact CG2-CD1 4.3Å; V377-N424 PolarHBondContact N-O 3Å; V377-N424 VanDerWaalsContact O-O 3.14Å; V377-Y425 HydrophobicContact CB-CD1 4.17Å; V377-Y425 HydrophobicContact CG1-CD1 4.34Å; V377-Y425 CarbonylContact O-C 3.59Å; V377-Y425 WeakPolarHBondContact O-CA 3.21Å; V377-Y425 VanDerWaalsContact O-O 3.1Å; V377-V426 WeakPolarHBondContact O-CG2 3.47Å; V377-V426 PolarHBondContact O-N 3.15Å
378	S	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.5	163.1	70.3	0	0	0	0	112.2	Y345 I346 N347 A348 P409 T411	Y345-S378 WeakPolarHBondContact CE2-OG 3.5Å; Y345-S378 PolarHBondContact OH-OG 3Å; I346-S378 PolarHBondContact O-N 2.84Å; N347-S378 WeakPolarHBondContact CA-O 3.39Å; A348-S378 PolarHBondContact N-O 3.36Å; S378-P409 VanDerWaalsContact CB-O 3.24Å; S378-P409 WeakPolarHBondContact CB-O 3.37Å; S378-P409 PolarHBondContact OG-O 2.91Å; S378-T411 VanDerWaalsContact CA-OG1 3.29Å; S378-T411 WeakPolarHBondContact CA-OG1 3.16Å; S378-T411 WeakPolarHBondContact CB-OG1 3.38Å
379	S	98.9	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.			trans	-113	119.7	169.6	174.2	0	0	0	0	110	P267 A350 K381 T411	P267-S379 WeakPolarHBondContact CG-OG 3.36Å; A350-S379 WeakPolarHBondContact O-CB 3.37Å; A350-S379 PolarHBondContact O-OG 3.39Å; S379-K381 PolarHBondContact O-N 3.16Å; S379-K381 PolarHBondContact OG-N 2.87Å; S379-T411 PolarHBondContact N-OG1 3.43Å
380	T	98.9	Very high	98.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.2	177.3	49.6	0	0	0	0	112.8	L67 G382 A383 T384 F398 P409	L67-T380 HydrophobicContact CD1-CG2 3.99Å; L67-T380 HydrophobicContact CD2-CG2 3.95Å; L67-T380 HydrophobicContact CG-CG2 4.45Å; T380-G382 PolarHBondContact O-N 3.1Å; T380-A383 WeakPolarHBondContact O-CB 3.48Å; T380-A383 PolarHBondContact O-N 3.17Å; T380-T384 PolarHBondContact O-N 2.78Å; T380-T384 VanDerWaalsContact O-N 3.14Å; T380-T384 PolarHBondContact O-OG1 3Å; T380-F398 HydrophobicContact CG2-CD2 4.01Å; T380-P409 HydrophobicContact CG2-CB 3.84Å; T380-P409 HydrophobicContact CG2-CG 3.54Å
381	K	98.9	Very high	98.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.5	-17.4	-177.9	-63.7	-177.2	-178.6	63.6	0	113.3	C265 A348 H349 T351 S379 A383 G385 H386 E395	C265-K381 VanDerWaalsContact SG-C 3.52Å; C265-K381 PolarHBondContact SG-O 3.42Å; A348-K381 PolarHBondContact O-NZ 2.92Å; H349-K381 WeakPolarHBondContact O-CD 3.39Å; H349-K381 WeakPolarHBondContact O-CE 3.46Å; H349-K381 PolarHBondContact O-NZ 2.88Å; T351-K381 HydrophobicContact CG2-CD 3.81Å; S379-K381 PolarHBondContact O-N 3.16Å; S379-K381 PolarHBondContact OG-N 2.87Å; K381-A383 PolarHBondContact O-N 2.88Å; K381-G385 CarbonylContact O-C 3.5Å; K381-G385 WeakPolarHBondContact O-CA 3.46Å; K381-G385 PolarHBondContact O-N 2.79Å; K381-H386 HydrophobicContact CD-CB 4.43Å; K381-E395 WeakPolarHBondContact CE-OE1 3.45Å; K381-E395 WeakPolarHBondContact CG-OE1 3.24Å; K381-E395 IonicContact NZ-OE1 3.28Å; K381-E395 PolarHBondContact NZ-OE1 3.24Å; K381-E395 IonicContact NZ-OE2 3.79Å; K381-E395 PolarHBondContact NZ-OE2 2.88Å
382	G	98.7	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.1	-27.5	167.3	0	0	0	0	0	113.3	S72 T380	S72-G382 PolarHBondContact OG-O 3.48Å; T380-G382 PolarHBondContact O-N 3.1Å
383	A	98.9	Very high	98.8	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.017	5%	0.048	C	C	.	.	H	α-helix	trans	-91.7	-44.2	179.5	0	0	0	0	0	112.1	L56 L67 K71 S72 G73 T380 K381 L412	L56-A383 HydrophobicContact CD1-CB 4.02Å; L56-A383 HydrophobicContact CD2-CB 4.3Å; L67-A383 HydrophobicContact CD1-CB 3.54Å; K71-A383 VanDerWaalsContact O-CB 3.26Å; K71-A383 WeakPolarHBondContact O-CB 3.29Å; S72-A383 WeakPolarHBondContact CA-O 3.45Å; G73-A383 PolarHBondContact N-O 2.94Å; T380-A383 WeakPolarHBondContact O-CB 3.48Å; T380-A383 PolarHBondContact O-N 3.17Å; K381-A383 PolarHBondContact O-N 2.88Å; A383-L412 HydrophobicContact CB-CD1 3.94Å
384	T	98.9	Very high	98.8	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.006	3%	0.026	C	C	.	.	H	α-helix	trans	-94.6	-13.4	-175.1	54.7	0	0	0	0	114.3	P55 L56 A91 T380 L387 F398	P55-T384 WeakPolarHBondContact CG-O 3.47Å; L56-T384 HydrophobicContact CD1-CG2 3.91Å; L56-T384 HydrophobicContact CG-CG2 4.24Å; A91-T384 VanDerWaalsContact CB-O 3.24Å; A91-T384 WeakPolarHBondContact CB-O 3.49Å; T380-T384 PolarHBondContact O-N 2.78Å; T380-T384 VanDerWaalsContact O-N 3.14Å; T380-T384 PolarHBondContact O-OG1 3Å; T384-L387 WeakPolarHBondContact O-CD2 3.25Å; T384-F398 HydrophobicContact CG2-CE2 3.94Å; T384-F398 HydrophobicContact CG2-CZ 4.03Å
385	G	98.8	Very high	98.8	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	1%	0.005	C	C	.	.			trans	65.1	-175.4	-154.5	0	0	0	0	0	111.2	K381	K381-G385 CarbonylContact O-C 3.5Å; K381-G385 WeakPolarHBondContact O-CA 3.46Å; K381-G385 PolarHBondContact O-N 2.79Å
386	H	98.8	Very high	98.8	Very high	4 Å²	4	0.9 Å²	0.9	2%	0.019	1%	0.005	C	C	.	.	B	Isolated β-bridge	trans	-92.6	105.9	176.4	-170.4	-2.8	0	0	0	110.5	C210 F275 V276 G278 H349 K381 L388	C210-H386 PolarHBondContact SG-NE2 2.74Å; F275-H386 HydrophobicContact CB-CB 4.32Å; F275-H386 HydrophobicContact CD2-CB 3.74Å; F275-H386 HydrophobicContact CE2-CB 4.37Å; F275-H386 HydrophobicContact CG-CB 4.27Å; V276-H386 PolarHBondContact O-N 3.43Å; G278-H386 PolarHBondContact N-O 2.97Å; H349-H386 AromaticContact CE1-NE2 3.83Å; K381-H386 HydrophobicContact CD-CB 4.43Å; H386-L388 PolarHBondContact ND1-N 3.21Å; H386-L388 PolarHBondContact O-N 3.01Å
387	L	98.8	Very high	98.8	Very high	1 Å²	1	0.9 Å²	0.9	1%	0.005	1%	0.005	C	C	.	.			trans	-78.2	20.1	-177.7	-47.5	-175.4	0	0	0	114.3	T54 P55 T384 G389 A390 A391 A394	T54-L387 HydrophobicContact CG2-CD1 4.31Å; P55-L387 HydrophobicContact CG-CD2 3.86Å; T384-L387 WeakPolarHBondContact O-CD2 3.25Å; L387-G389 PolarHBondContact O-N 2.86Å; L387-G389 VanDerWaalsContact O-N 3.16Å; L387-A390 HydrophobicContact CB-CB 3.92Å; L387-A390 WeakPolarHBondContact O-CB 3.42Å; L387-A390 PolarHBondContact O-N 2.97Å; L387-A391 HydrophobicContact CB-CB 4.39Å; L387-A394 HydrophobicContact CD1-CB 3.94Å
388	L	98.6	Very high	98.8	Very high	7 Å²	7	0.9 Å²	0.9	4%	0.037	1%	0.005	C	C	.	.	G	3₁₀ helix	trans	47.9	-117.8	-179.1	-56.3	175.9	0	0	0	112.1	D238 C240 F249 F275 M277 H386 A390 A391	D238-L388 HydrophobicContact CB-CB 4.08Å; C240-L388 WeakPolarHBondContact SG-CD1 3.5Å; F249-L388 HydrophobicContact CZ-CD2 4.19Å; F275-L388 HydrophobicContact CE2-CD2 4.23Å; F275-L388 HydrophobicContact CZ-CD2 4.23Å; M277-L388 HydrophobicContact CE-CD1 4.44Å; M277-L388 HydrophobicContact CG-CD1 4.27Å; M277-L388 HydrophobicContact SD-CD1 4.41Å; H386-L388 PolarHBondContact ND1-N 3.21Å; H386-L388 PolarHBondContact O-N 3.01Å; L388-A390 PolarHBondContact O-N 2.95Å; L388-A391 WeakPolarHBondContact O-CB 3.27Å; L388-A391 PolarHBondContact O-N 3.27Å; L388-A391 VanDerWaalsContact O-N 3.1Å
389	G	98.5	Very high	98.8	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	1%	0.005	C	C	.	.	G	3₁₀ helix	trans	-67.7	-18	-179.3	0	0	0	0	0	114.7	A209 G213 D238 L387	A209-G389 WeakPolarHBondContact O-CA 3.29Å; G213-G389 WeakPolarHBondContact CA-O 3.28Å; G213-G389 PolarHBondContact N-O 3.42Å; D238-G389 WeakPolarHBondContact OD2-CA 3.14Å; D238-G389 PolarHBondContact OD2-N 2.81Å; L387-G389 PolarHBondContact O-N 2.86Å; L387-G389 VanDerWaalsContact O-N 3.16Å
390	A	98.8	Very high	98.8	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	1%	0.005	C	C	.	.	G	3₁₀ helix	trans	-84.1	-12.6	172.2	0	0	0	0	0	113.7	G236 G280 L387 L388 A393 A394	G236-A390 WeakPolarHBondContact O-CB 3.35Å; G280-A390 WeakPolarHBondContact O-CB 3.44Å; L387-A390 HydrophobicContact CB-CB 3.92Å; L387-A390 WeakPolarHBondContact O-CB 3.42Å; L387-A390 PolarHBondContact O-N 2.97Å; L388-A390 PolarHBondContact O-N 2.95Å; A390-A393 PolarHBondContact O-N 3.21Å; A390-A394 PolarHBondContact O-N 2.93Å
391	A	98.8	Very high	98.8	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-59.2	-54.5	-171.6	0	0	0	0	0	112.3	L387 L388 A393 A394 E395	L387-A391 HydrophobicContact CB-CB 4.39Å; L388-A391 WeakPolarHBondContact O-CB 3.27Å; L388-A391 PolarHBondContact O-N 3.27Å; L388-A391 VanDerWaalsContact O-N 3.1Å; A391-A393 PolarHBondContact O-N 3.05Å; A391-A394 PolarHBondContact O-N 3.14Å; A391-A394 VanDerWaalsContact O-N 3.13Å; A391-E395 WeakPolarHBondContact O-CB 3.31Å; A391-E395 VanDerWaalsContact O-CD 3.31Å; A391-E395 VanDerWaalsContact O-CG 3.31Å; A391-E395 WeakPolarHBondContact O-CG 3.39Å; A391-E395 PolarHBondContact O-N 3.48Å
392	G	98.8	Very high	98.8	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-61	-28.9	-179.3	0	0	0	0	0	114.2	A396 S445	G392-A396 VanDerWaalsContact O-CB 3.25Å; G392-A396 WeakPolarHBondContact O-CB 3.29Å; G392-A396 PolarHBondContact O-N 3.26Å; G392-S445 WeakPolarHBondContact CA-OG 3.38Å
393	A	98.9	Very high	98.9	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-76.8	-41.5	175.6	0	0	0	0	0	111.9	A282 L284 A390 A391 E395 A396 A397	A282-A393 HydrophobicContact CB-CB 3.88Å; A282-A393 WeakPolarHBondContact O-CB 3.14Å; L284-A393 HydrophobicContact CD1-CB 4.48Å; A390-A393 PolarHBondContact O-N 3.21Å; A391-A393 PolarHBondContact O-N 3.05Å; A393-E395 VanDerWaalsContact C-N 3.31Å; A393-E395 PolarHBondContact O-N 2.98Å; A393-A396 PolarHBondContact O-N 3.27Å; A393-A397 PolarHBondContact O-N 2.89Å
394	A	98.9	Very high	98.9	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.008	3%	0.025	C	C	.	.	H	α-helix	trans	-64.2	-39.6	174.9	0	0	0	0	0	111.2	A282 L387 A390 A391 A397 F398	A282-A394 VanDerWaalsContact CB-CA 3.46Å; A282-A394 HydrophobicContact CB-CB 3.81Å; A282-A394 VanDerWaalsContact CB-N 3.28Å; L387-A394 HydrophobicContact CD1-CB 3.94Å; A390-A394 PolarHBondContact O-N 2.93Å; A391-A394 PolarHBondContact O-N 3.14Å; A391-A394 VanDerWaalsContact O-N 3.13Å; A394-A397 WeakPolarHBondContact O-CB 3.37Å; A394-A397 PolarHBondContact O-N 2.89Å; A394-F398 HydrophobicContact CB-CE2 4.27Å; A394-F398 VanDerWaalsContact O-CD2 3.24Å; A394-F398 WeakPolarHBondContact O-CD2 3.42Å; A394-F398 WeakPolarHBondContact O-CG 3.46Å; A394-F398 PolarHBondContact O-N 2.91Å
395	E	98.9	Very high	98.8	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.009	4%	0.04	C	C	.	.	H	α-helix	trans	-72.5	-34.2	179.2	-70.8	155.5	-164.2	0	0	112.1	N347 K381 A391 A393 F398 T399 T443	N347-E395 WeakPolarHBondContact OD1-CG 3.02Å; K381-E395 WeakPolarHBondContact CE-OE1 3.45Å; K381-E395 WeakPolarHBondContact CG-OE1 3.24Å; K381-E395 IonicContact NZ-OE1 3.28Å; K381-E395 PolarHBondContact NZ-OE1 3.24Å; K381-E395 IonicContact NZ-OE2 3.79Å; K381-E395 PolarHBondContact NZ-OE2 2.88Å; A391-E395 WeakPolarHBondContact O-CB 3.31Å; A391-E395 VanDerWaalsContact O-CD 3.31Å; A391-E395 VanDerWaalsContact O-CG 3.31Å; A391-E395 WeakPolarHBondContact O-CG 3.39Å; A391-E395 PolarHBondContact O-N 3.48Å; A393-E395 VanDerWaalsContact C-N 3.31Å; A393-E395 PolarHBondContact O-N 2.98Å; E395-F398 PolarHBondContact O-N 3.19Å; E395-T399 WeakPolarHBondContact O-CB 3.26Å; E395-T399 PolarHBondContact O-N 3.1Å; E395-T399 PolarHBondContact O-OG1 2.54Å; E395-T443 WeakPolarHBondContact CB-OG1 3.17Å
396	A	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.4	-41	167.3	0	0	0	0	0	112.1	G392 A393 T399 T400 T443 L455 I457	G392-A396 VanDerWaalsContact O-CB 3.25Å; G392-A396 WeakPolarHBondContact O-CB 3.29Å; G392-A396 PolarHBondContact O-N 3.26Å; A393-A396 PolarHBondContact O-N 3.27Å; A396-T399 PolarHBondContact O-N 2.93Å; A396-T400 VanDerWaalsContact O-CB 3.31Å; A396-T400 WeakPolarHBondContact O-CB 3.35Å; A396-T400 PolarHBondContact O-N 3.08Å; A396-T400 PolarHBondContact O-OG1 3.11Å; A396-T443 HydrophobicContact CB-CG2 4.17Å; A396-L455 HydrophobicContact CB-CD1 4.06Å; A396-I457 HydrophobicContact CB-CD1 4.26Å
397	A	98.9	Very high	98.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.6	-44.1	173.9	0	0	0	0	0	111.9	I50 L52 L284 A393 A394 T399 T400 L401	I50-A397 HydrophobicContact CG2-CB 3.63Å; L52-A397 HydrophobicContact CD2-CB 3.89Å; L284-A397 HydrophobicContact CD2-CB 4.42Å; A393-A397 PolarHBondContact O-N 2.89Å; A394-A397 WeakPolarHBondContact O-CB 3.37Å; A394-A397 PolarHBondContact O-N 2.89Å; A397-T399 PolarHBondContact O-N 3.48Å; A397-T400 WeakPolarHBondContact O-CB 3.15Å; A397-T400 PolarHBondContact O-N 3.02Å; A397-L401 WeakPolarHBondContact O-CG 3.29Å; A397-L401 PolarHBondContact O-N 2.85Å
398	F	98.9	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.9	-38.7	176.1	-59.2	-31.8	0	0	0	112.6	L52 V63 W64 L67 T380 T384 A394 E395 T400 L401 A402	L52-F398 HydrophobicContact CD1-CD1 4.41Å; L52-F398 HydrophobicContact CD1-CE1 3.73Å; V63-F398 HydrophobicContact CG1-CE1 3.84Å; V63-F398 HydrophobicContact CG1-CZ 4.1Å; W64-F398 HydrophobicContact CE3-CD1 4.28Å; W64-F398 HydrophobicContact CZ3-CB 4.25Å; W64-F398 WeakPolarHBondContact CZ3-O 3.1Å; L67-F398 HydrophobicContact CD2-CB 4.25Å; L67-F398 HydrophobicContact CD2-CD1 3.59Å; L67-F398 HydrophobicContact CD2-CD2 3.87Å; L67-F398 HydrophobicContact CD2-CE1 3.82Å; L67-F398 HydrophobicContact CD2-CE2 4.07Å; L67-F398 HydrophobicContact CD2-CG 3.63Å; L67-F398 HydrophobicContact CD2-CZ 4.05Å; T380-F398 HydrophobicContact CG2-CD2 4.01Å; T384-F398 HydrophobicContact CG2-CE2 3.94Å; T384-F398 HydrophobicContact CG2-CZ 4.03Å; A394-F398 HydrophobicContact CB-CE2 4.27Å; A394-F398 VanDerWaalsContact O-CD2 3.24Å; A394-F398 WeakPolarHBondContact O-CD2 3.42Å; A394-F398 WeakPolarHBondContact O-CG 3.46Å; A394-F398 PolarHBondContact O-N 2.91Å; E395-F398 PolarHBondContact O-N 3.19Å; F398-T400 VanDerWaalsContact C-N 3.35Å; F398-L401 PolarHBondContact O-N 3.13Å; F398-A402 WeakPolarHBondContact O-CB 3.47Å; F398-A402 PolarHBondContact O-N 3.13Å
399	T	99	Very high	98.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.3	-39.4	175.4	-56.9	0	0	0	0	111.3	Y345 N347 E395 A396 A397 A402 C403 T443 I457	Y345-T399 HydrophobicContact CD1-CG2 4.48Å; N347-T399 WeakPolarHBondContact CB-OG1 3.22Å; E395-T399 WeakPolarHBondContact O-CB 3.26Å; E395-T399 PolarHBondContact O-N 3.1Å; E395-T399 PolarHBondContact O-OG1 2.54Å; A396-T399 PolarHBondContact O-N 2.93Å; A397-T399 PolarHBondContact O-N 3.48Å; T399-A402 WeakPolarHBondContact O-CB 3.43Å; T399-A402 PolarHBondContact O-N 3.29Å; T399-C403 PolarHBondContact O-N 2.57Å; T399-C403 PolarHBondContact O-SG 3.41Å; T399-T443 WeakPolarHBondContact OG1-CB 3.21Å; T399-I457 HydrophobicContact CG2-CB 4.41Å; T399-I457 HydrophobicContact CG2-CD1 4.44Å
400	T	98.9	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.9	-45.9	173.7	-62.4	0	0	0	0	111.4	I47 I50 Y300 A301 A396 A397 F398 C403 Y404	I47-T400 HydrophobicContact CB-CG2 4.27Å; I47-T400 HydrophobicContact CD1-CG2 3.93Å; I47-T400 WeakPolarHBondContact CD1-OG1 3.43Å; I47-T400 HydrophobicContact CG2-CG2 4.11Å; I50-T400 HydrophobicContact CD1-CG2 3.86Å; Y300-T400 VanDerWaalsContact CB-CG2 3.44Å; Y300-T400 HydrophobicContact CG-CG2 4.2Å; A301-T400 HydrophobicContact CB-CG2 3.87Å; A396-T400 VanDerWaalsContact O-CB 3.31Å; A396-T400 WeakPolarHBondContact O-CB 3.35Å; A396-T400 PolarHBondContact O-N 3.08Å; A396-T400 PolarHBondContact O-OG1 3.11Å; A397-T400 WeakPolarHBondContact O-CB 3.15Å; A397-T400 PolarHBondContact O-N 3.02Å; F398-T400 VanDerWaalsContact C-N 3.35Å; T400-C403 WeakPolarHBondContact O-CB 3.47Å; T400-C403 PolarHBondContact O-N 2.99Å; T400-Y404 WeakPolarHBondContact O-CB 3.4Å; T400-Y404 PolarHBondContact O-N 3.19Å
401	L	98.9	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.9	-34.9	176.3	-68.8	171	0	0	0	112.1	I50 T60 W64 Y300 A397 F398 C403 Y404 Y405	I50-L401 HydrophobicContact CD1-CD2 4.08Å; I50-L401 HydrophobicContact CD1-CG 4.08Å; T60-L401 HydrophobicContact CG2-CD1 3.99Å; T60-L401 HydrophobicContact CG2-CD2 4.5Å; W64-L401 HydrophobicContact CB-CD1 3.86Å; W64-L401 HydrophobicContact CD2-CB 3.78Å; W64-L401 HydrophobicContact CD2-CD1 3.81Å; W64-L401 HydrophobicContact CD2-CG 4.39Å; W64-L401 HydrophobicContact CE3-CB 3.57Å; W64-L401 HydrophobicContact CE3-CD1 3.63Å; W64-L401 HydrophobicContact CE3-CG 4.27Å; W64-L401 HydrophobicContact CG-CD1 3.93Å; W64-L401 HydrophobicContact CH2-CB 3.87Å; W64-L401 HydrophobicContact CZ2-CB 4.05Å; W64-L401 HydrophobicContact CZ3-CB 3.63Å; W64-L401 HydrophobicContact CZ3-CD1 4.43Å; Y300-L401 HydrophobicContact CD1-CD2 4.28Å; Y300-L401 HydrophobicContact CE1-CD2 3.99Å; A397-L401 WeakPolarHBondContact O-CG 3.29Å; A397-L401 PolarHBondContact O-N 2.85Å; F398-L401 PolarHBondContact O-N 3.13Å; L401-C403 VanDerWaalsContact C-N 3.34Å; L401-Y404 PolarHBondContact O-N 3.36Å; L401-Y405 HydrophobicContact CB-CD2 4.25Å; L401-Y405 HydrophobicContact CB-CE2 4.42Å; L401-Y405 HydrophobicContact CD2-CD2 4.42Å; L401-Y405 HydrophobicContact CD2-CE2 3.83Å; L401-Y405 WeakPolarHBondContact O-CB 3.23Å; L401-Y405 VanDerWaalsContact O-CD2 3.24Å; L401-Y405 WeakPolarHBondContact O-CD2 3.41Å; L401-Y405 PolarHBondContact O-N 2.7Å
402	A	98.9	Very high	98.9	Very high	0 Å²	0	15 Å²	15	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.9	-40.7	172.4	0	0	0	0	0	111.5	W64 Y345 F398 T399 Q406 K407 L408	W64-A402 HydrophobicContact CH2-CB 4.1Å; Y345-A402 HydrophobicContact CD1-CB 4.06Å; Y345-A402 HydrophobicContact CE1-CB 4.06Å; F398-A402 WeakPolarHBondContact O-CB 3.47Å; F398-A402 PolarHBondContact O-N 3.13Å; T399-A402 WeakPolarHBondContact O-CB 3.43Å; T399-A402 PolarHBondContact O-N 3.29Å; A402-Q406 WeakPolarHBondContact O-CA 3.46Å; A402-Q406 PolarHBondContact O-N 3.42Å; A402-K407 WeakPolarHBondContact CA-O 3.07Å; A402-K407 WeakPolarHBondContact CB-O 3.46Å; A402-K407 PolarHBondContact O-N 3.38Å; A402-L408 HydrophobicContact CB-CD2 4.47Å
403	C	98.9	Very high	98.9	Very high	4 Å²	4	17 Å²	17	3%	0.027	7%	0.074	C	C	.	.	H	α-helix	trans	-62.5	-45.5	172.7	-65	0	0	0	0	111.9	A301 T399 T400 L401 F439 I457	A301-C403 HydrophobicContact CB-CB 4.32Å; T399-C403 PolarHBondContact O-N 2.57Å; T399-C403 PolarHBondContact O-SG 3.41Å; T400-C403 WeakPolarHBondContact O-CB 3.47Å; T400-C403 PolarHBondContact O-N 2.99Å; L401-C403 VanDerWaalsContact C-N 3.34Å; C403-F439 HydrophobicContact CB-CD1 3.98Å; C403-F439 HydrophobicContact CB-CE1 4.38Å; C403-F439 VanDerWaalsContact SG-CD1 3.6Å; C403-I457 PolarHBondContact SG-O 2.68Å
404	Y	98.8	Very high	98.9	Very high	108 Å²	108	17.3 Å²	17.3	42%	0.424	8%	0.076	S	C	.	.	H	α-helix	trans	-67.6	-41.8	-177.5	-173.7	-104.2	0	0	0	113	Y300 T400 L401	Y300-Y404 HydrophobicContact CD1-CD1 4.09Å; Y300-Y404 AromaticContact CD1-CD2 3.89Å; Y300-Y404 HydrophobicContact CD1-CD2 3.89Å; Y300-Y404 HydrophobicContact CD1-CE1 4.45Å; Y300-Y404 HydrophobicContact CD1-CE2 4.25Å; Y300-Y404 AromaticContact CD1-CG 3.8Å; Y300-Y404 HydrophobicContact CD1-CG 3.8Å; Y300-Y404 HydrophobicContact CE1-CD1 4.4Å; T400-Y404 WeakPolarHBondContact O-CB 3.4Å; T400-Y404 PolarHBondContact O-N 3.19Å; L401-Y404 PolarHBondContact O-N 3.36Å
405	Y	98.8	Very high	98.8	Very high	81 Å²	81	22.9 Å²	22.9	32%	0.318	11%	0.105	S	C	.	.	H	α-helix	trans	-94.4	-10.9	-177.5	-66.4	-59.6	0	0	0	114	H61 W64 L401 K407 K434	H61-Y405 PolarHBondContact ND1-OH 3.48Å; W64-Y405 AromaticContact CD1-CE2 3.76Å; W64-Y405 AromaticContact CE2-CD2 3.65Å; W64-Y405 HydrophobicContact CG-CE2 4.45Å; W64-Y405 AromaticContact CZ2-CD2 3.93Å; W64-Y405 HydrophobicContact CZ2-CD2 3.93Å; W64-Y405 AromaticContact NE1-CD2 3.27Å; W64-Y405 VanDerWaalsContact NE1-CD2 3.27Å; W64-Y405 AromaticContact NE1-CE2 3.5Å; L401-Y405 HydrophobicContact CB-CD2 4.25Å; L401-Y405 HydrophobicContact CB-CE2 4.42Å; L401-Y405 HydrophobicContact CD2-CD2 4.42Å; L401-Y405 HydrophobicContact CD2-CE2 3.83Å; L401-Y405 WeakPolarHBondContact O-CB 3.23Å; L401-Y405 VanDerWaalsContact O-CD2 3.24Å; L401-Y405 WeakPolarHBondContact O-CD2 3.41Å; L401-Y405 PolarHBondContact O-N 2.7Å; Y405-K407 VanDerWaalsContact C-N 3.25Å; Y405-K407 PolarHBondContact O-N 3.11Å; Y405-K434 PolarHBondContact O-NZ 3.41Å
406	Q	98.6	Very high	98.8	Very high	48 Å²	48	25.7 Å²	25.7	22%	0.224	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	51	-168.1	-65.5	-169.8	-4.7	0	0	111.4	A402 W433 K434 T435 F439	A402-Q406 WeakPolarHBondContact O-CA 3.46Å; A402-Q406 PolarHBondContact O-N 3.42Å; Q406-W433 PolarHBondContact O-N 2.93Å; Q406-K434 HydrophobicContact CB-CD 3.95Å; Q406-K434 PolarHBondContact O-NZ 2.69Å; Q406-T435 PolarHBondContact NE2-O 2.92Å; Q406-F439 HydrophobicContact CB-CD2 4.37Å; Q406-F439 HydrophobicContact CG-CB 4.26Å; Q406-F439 HydrophobicContact CG-CD2 4Å; Q406-F439 HydrophobicContact CG-CG 4.33Å
407	K	98.9	Very high	98.8	Very high	56 Å²	56	28.8 Å²	28.8	24%	0.243	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130.5	-175.9	-170.8	174.5	-168.4	149.6	0	110.5	I68 A402 Y405 E432	I68-K407 HydrophobicContact CD1-CD 4.33Å; I68-K407 HydrophobicContact CD1-CG 4.15Å; I68-K407 HydrophobicContact CG2-CD 4.14Å; A402-K407 WeakPolarHBondContact CA-O 3.07Å; A402-K407 WeakPolarHBondContact CB-O 3.46Å; A402-K407 PolarHBondContact O-N 3.38Å; Y405-K407 VanDerWaalsContact C-N 3.25Å; Y405-K407 PolarHBondContact O-N 3.11Å; K407-E432 VanDerWaalsContact CD-OE1 3.27Å; K407-E432 WeakPolarHBondContact CD-OE1 3.15Å; K407-E432 WeakPolarHBondContact CE-OE1 3.25Å; K407-E432 IonicContact NZ-OE1 2.72Å; K407-E432 PolarHBondContact NZ-OE1 3.3Å
408	L	98.9	Very high	98.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.1	-168.6	-47.9	-175.7	0	0	0	111.3	Y345 A376 A402 V426 A430 Q431 W433 F439	Y345-L408 HydrophobicContact CD1-CD2 4.21Å; Y345-L408 HydrophobicContact CD2-CD1 4.16Å; Y345-L408 HydrophobicContact CD2-CD2 3.8Å; Y345-L408 HydrophobicContact CD2-CG 4.42Å; Y345-L408 HydrophobicContact CE2-CD2 4.39Å; Y345-L408 HydrophobicContact CG-CD2 3.71Å; A376-L408 HydrophobicContact CB-CD1 3.3Å; A402-L408 HydrophobicContact CB-CD2 4.47Å; L408-V426 HydrophobicContact CB-CG1 4.27Å; L408-V426 HydrophobicContact CB-CG2 4.18Å; L408-V426 HydrophobicContact CD1-CG2 4.02Å; L408-A430 VanDerWaalsContact O-CA 3.23Å; L408-A430 WeakPolarHBondContact O-CA 3.43Å; L408-A430 VanDerWaalsContact O-CB 3.31Å; L408-A430 WeakPolarHBondContact O-CB 3.27Å; L408-Q431 PolarHBondContact N-O 3.39Å; L408-Q431 PolarHBondContact O-N 3.33Å; L408-W433 HydrophobicContact CD1-CB 3.92Å; L408-W433 HydrophobicContact CD1-CD2 3.91Å; L408-W433 HydrophobicContact CD1-CE3 3.67Å; L408-W433 HydrophobicContact CD1-CG 4.05Å; L408-W433 HydrophobicContact CD1-CZ3 4.46Å; L408-W433 HydrophobicContact CD2-CB 4.08Å; L408-W433 HydrophobicContact CG-CB 3.82Å; L408-W433 HydrophobicContact CG-CG 4.42Å; L408-F439 HydrophobicContact CD2-CE2 4.11Å; L408-F439 HydrophobicContact CD2-CZ 3.7Å
409	P	98.9	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-73	147.2	174.3	32.1	-34.9	0	0	0	111.2	L67 I68 Y345 S378 T380	L67-P409 HydrophobicContact CD1-CB 4.21Å; L67-P409 HydrophobicContact CD2-CB 3.77Å; L67-P409 HydrophobicContact CD2-CG 4.32Å; L67-P409 HydrophobicContact CG-CB 3.7Å; I68-P409 HydrophobicContact CD1-CB 4.23Å; Y345-P409 WeakPolarHBondContact OH-CG 3.3Å; S378-P409 VanDerWaalsContact CB-O 3.24Å; S378-P409 WeakPolarHBondContact CB-O 3.37Å; S378-P409 PolarHBondContact OG-O 2.91Å; T380-P409 HydrophobicContact CG2-CB 3.84Å; T380-P409 HydrophobicContact CG2-CG 3.54Å
410	P	98.9	Very high	98.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-76.2	152.3	-177.1	29.8	-33.3	0	0	0	113.2	L412 V426	P410-L412 HydrophobicContact CB-CD2 4.37Å; P410-L412 HydrophobicContact CG-CD2 3.97Å; P410-V426 CarbonylContact C-O 3.6Å; P410-V426 VanDerWaalsContact CA-O 3.27Å; P410-V426 WeakPolarHBondContact CA-O 3.35Å
411	T	98.9	Very high	98.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-81.7	110.6	155.8	-54.8	0	0	0	0	108.5	P267 F268 S378 S379 L414 Y425 V426 L428	P267-T411 HydrophobicContact CB-CG2 4.01Å; P267-T411 HydrophobicContact CG-CG2 4.32Å; F268-T411 HydrophobicContact CD2-CG2 4.11Å; F268-T411 HydrophobicContact CE2-CG2 4.44Å; S378-T411 VanDerWaalsContact CA-OG1 3.29Å; S378-T411 WeakPolarHBondContact CA-OG1 3.16Å; S378-T411 WeakPolarHBondContact CB-OG1 3.38Å; S379-T411 PolarHBondContact N-OG1 3.43Å; T411-L414 HydrophobicContact CG2-CB 4.21Å; T411-L414 HydrophobicContact CG2-CD2 4.16Å; T411-Y425 VanDerWaalsContact CB-O 3.22Å; T411-Y425 WeakPolarHBondContact CB-O 3.46Å; T411-Y425 PolarHBondContact OG1-O 3.47Å; T411-V426 PolarHBondContact N-O 3.43Å; T411-L428 PolarHBondContact O-N 3.46Å
412	L	98.8	Very high	98.6	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.073	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	154.2	178.2	-62	-175.3	0	0	0	111.7	A383 P410 L414	A383-L412 HydrophobicContact CB-CD1 3.94Å; P410-L412 HydrophobicContact CB-CD2 4.37Å; P410-L412 HydrophobicContact CG-CD2 3.97Å; L412-L414 PolarHBondContact O-N 3.18Å
413	N	98.7	Very high	98.6	Very high	41 Å²	41	45.4 Å²	45.4	22%	0.219	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	21.2	174.8	-54.3	-36.8	0	0	0	115.8	K262 C265 R266 H269	K262-N413 PolarHBondContact O-ND2 2.82Å; K262-N413 PolarHBondContact O-OD1 3.31Å; C265-N413 PolarHBondContact O-ND2 3.48Å; R266-N413 HydrophobicContact CB-CB 3.71Å; H269-N413 PolarHBondContact CD2-O 2.9Å
414	L	98.8	Very high	98.6	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	25%	0.245	C	C	.	.			trans	-102.1	74.2	176.9	-167.4	62.1	0	0	0	110.7	P267 F268 H269 T411 L412 C416 T417 Y425 P427	P267-L414 WeakPolarHBondContact O-CD1 3.38Å; F268-L414 HydrophobicContact CB-CD1 4.09Å; F268-L414 HydrophobicContact CB-CD2 4.23Å; F268-L414 HydrophobicContact CD2-CD2 4.35Å; H269-L414 HydrophobicContact CB-CD1 3.88Å; T411-L414 HydrophobicContact CG2-CB 4.21Å; T411-L414 HydrophobicContact CG2-CD2 4.16Å; L412-L414 PolarHBondContact O-N 3.18Å; L414-C416 WeakPolarHBondContact CD1-O 3.01Å; L414-T417 HydrophobicContact CD1-CG2 3.75Å; L414-T417 HydrophobicContact CD2-CG2 4.26Å; L414-T417 HydrophobicContact CG-CG2 4.11Å; L414-Y425 VanDerWaalsContact CD2-CB 3.46Å; L414-Y425 HydrophobicContact CD2-CD2 4.09Å; L414-Y425 HydrophobicContact CD2-CG 4.02Å; L414-P427 HydrophobicContact CB-CB 4.27Å; L414-P427 HydrophobicContact CD2-CB 4.29Å; L414-P427 HydrophobicContact CG-CB 4.37Å; L414-P427 WeakPolarHBondContact O-CB 3.2Å
415	D	98.1	Very high	98.6	Very high	118 Å²	118	42.5 Å²	42.5	63%	0.631	23%	0.226	S	C	*	.	S	Bend	trans	-85.3	-19.4	178.3	62.7	-10.6	0	0	0	113.3	H269	H269-D415 IonicContact CD2-OD1 3.76Å; H269-D415 PolarHBondContact CD2-OD1 2.95Å; H269-D415 IonicContact NE2-OD1 2.65Å; H269-D415 PolarHBondContact NE2-OD1 3.38Å
416	C	98.1	Very high	98.6	Very high	62 Å²	62	38.7 Å²	38.7	42%	0.419	21%	0.211	S	C	.	.			trans	-152.3	160.6	174.4	61.7	0	0	0	0	111.4	P270 L414	P270-C416 VanDerWaalsContact CD-O 3.24Å; P270-C416 WeakPolarHBondContact CD-O 3.47Å; L414-C416 WeakPolarHBondContact CD1-O 3.01Å
417	T	98.4	Very high	98.6	Very high	65 Å²	65	39.1 Å²	39.1	40%	0.399	22%	0.218	S	C	.	.			trans	-131.9	158.8	177.4	52.8	0	0	0	0	111.8	L414 F421 Y425	L414-T417 HydrophobicContact CD1-CG2 3.75Å; L414-T417 HydrophobicContact CD2-CG2 4.26Å; L414-T417 HydrophobicContact CG-CG2 4.11Å; T417-F421 VanDerWaalsContact CB-O 3.24Å; T417-F421 WeakPolarHBondContact CB-O 3.43Å; T417-F421 HydrophobicContact CG2-CB 4Å; T417-F421 PolarHBondContact OG1-O 3.15Å; T417-Y425 HydrophobicContact CG2-CD2 4.32Å; T417-Y425 HydrophobicContact CG2-CE2 4.42Å
418	E	97.8	Very high	98.6	Very high	63 Å²	63	40.8 Å²	40.8	29%	0.294	23%	0.229	S	C	.	.			trans	-77.4	157.5	166	-51.6	175.4	-117.5	0	0	109.3	P270 R272 E420 F421	P270-E418 HydrophobicContact CB-CG 3.74Å; P270-E418 HydrophobicContact CG-CG 3.75Å; R272-E418 IonicContact CZ-OE1 3.82Å; R272-E418 IonicContact NH1-OE1 2.86Å; R272-E418 PolarHBondContact NH1-OE1 3.44Å; R272-E418 IonicContact NH2-OE1 3.86Å; E418-E420 HydrophobicContact CB-CG 4.49Å; E418-E420 PolarHBondContact O-N 3.05Å; E418-F421 HydrophobicContact CB-CD2 4.15Å; E418-F421 PolarHBondContact O-N 3.22Å
419	P	98.1	Very high	98.6	Very high	125 Å²	125	48.7 Å²	48.7	81%	0.812	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.6	-176	-27.7	35.7	0	0	0	115.6	F421	P419-F421 VanDerWaalsContact C-N 3.29Å
420	E	97.8	Very high	98.6	Very high	77 Å²	77	49.7 Å²	49.7	36%	0.36	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.5	176.4	70	-180	120	0	0	113.4	N361 E418 D422	N361-E420 PolarHBondContact ND2-O 2.8Å; E418-E420 HydrophobicContact CB-CG 4.49Å; E418-E420 PolarHBondContact O-N 3.05Å; E420-D422 PolarHBondContact O-N 3.03Å
421	F	98.6	Very high	98.6	Very high	1 Å²	1	52 Å²	52	0%	0.004	28%	0.283	C	S	.	.			trans	-97.5	81.8	177.1	-64.6	-80.2	0	0	0	109.5	F268 D357 A358 N361 T417 E418 P419 Y425	F268-F421 HydrophobicContact CB-CD1 3.92Å; F268-F421 HydrophobicContact CB-CE1 4.26Å; F268-F421 HydrophobicContact CB-CG 4.39Å; F268-F421 AromaticContact CD1-CD1 3.86Å; F268-F421 HydrophobicContact CD1-CD1 3.86Å; F268-F421 AromaticContact CD1-CE1 3.76Å; F268-F421 HydrophobicContact CD1-CE1 3.76Å; F268-F421 HydrophobicContact CG-CD1 4.31Å; D357-F421 HydrophobicContact CB-CE1 4.4Å; D357-F421 HydrophobicContact CB-CZ 4.44Å; A358-F421 HydrophobicContact CB-CZ 4Å; N361-F421 HydrophobicContact CB-CD1 3.92Å; N361-F421 HydrophobicContact CB-CE1 3.67Å; T417-F421 VanDerWaalsContact CB-O 3.24Å; T417-F421 WeakPolarHBondContact CB-O 3.43Å; T417-F421 HydrophobicContact CG2-CB 4Å; T417-F421 PolarHBondContact OG1-O 3.15Å; E418-F421 HydrophobicContact CB-CD2 4.15Å; E418-F421 PolarHBondContact O-N 3.22Å; P419-F421 VanDerWaalsContact C-N 3.29Å; F421-Y425 VanDerWaalsContact C-CE2 3.49Å; F421-Y425 WeakPolarHBondContact CA-OH 3.21Å; F421-Y425 HydrophobicContact CB-CE2 3.8Å
422	D	98.6	Very high	98.5	Very high	69 Å²	69	56.8 Å²	56.8	37%	0.369	31%	0.305	S	S	.	.			trans	-118.8	12.1	-170.9	60.4	-6	0	0	0	113.9	K365 Y373 E420 Y425	K365-D422 WeakPolarHBondContact CE-OD1 3.29Å; K365-D422 IonicContact NZ-OD1 3.67Å; K365-D422 PolarHBondContact NZ-OD1 2.65Å; K365-D422 IonicContact NZ-OD2 3.94Å; K365-D422 PolarHBondContact NZ-OD2 3.33Å; Y373-D422 HydrophobicContact CE1-CB 4.5Å; Y373-D422 PolarHBondContact OH-OD2 2.89Å; E420-D422 PolarHBondContact O-N 3.03Å; D422-Y425 PolarHBondContact N-OH 3.35Å
423	L	98.8	Very high	98.5	Very high	14 Å²	14	59 Å²	59	7%	0.073	31%	0.312	C	S	.	.	S	Bend	trans	-87.4	169.5	175.3	-50.8	-175.2	0	0	0	112.3	I364 K365 A372 Y373 V377 Y425	I364-L423 HydrophobicContact CG2-CD1 3.84Å; K365-L423 HydrophobicContact CD-CD2 4.39Å; K365-L423 HydrophobicContact CG-CD1 4.08Å; K365-L423 HydrophobicContact CG-CD2 4.12Å; K365-L423 HydrophobicContact CG-CG 4.36Å; A372-L423 HydrophobicContact CB-CD1 4.39Å; A372-L423 HydrophobicContact CB-CD2 3.97Å; Y373-L423 HydrophobicContact CD1-CD2 3.75Å; Y373-L423 HydrophobicContact CE1-CD2 3.71Å; Y373-L423 HydrophobicContact CG-CD2 4.27Å; V377-L423 HydrophobicContact CG2-CD1 4.3Å; L423-Y425 HydrophobicContact CB-CD1 4.49Å; L423-Y425 HydrophobicContact CB-CE1 3.86Å; L423-Y425 HydrophobicContact CB-CE2 4.07Å; L423-Y425 HydrophobicContact CD1-CE1 4.43Å; L423-Y425 HydrophobicContact CG-CE1 4.37Å; L423-Y425 PolarHBondContact N-OH 3.33Å; L423-Y425 WeakPolarHBondContact O-CD2 3.44Å; L423-Y425 WeakPolarHBondContact O-CE2 3.48Å; L423-Y425 PolarHBondContact O-N 2.92Å
424	N	98.8	Very high	98.4	Very high	46 Å²	46	63.1 Å²	63.1	25%	0.246	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-76.3	92.5	168.5	177.7	18.7	0	0	0	110.4	V377 V426 Q431	V377-N424 PolarHBondContact N-O 3Å; V377-N424 VanDerWaalsContact O-O 3.14Å; N424-V426 PolarHBondContact O-N 2.93Å; N424-V426 PolarHBondContact OD1-N 3.25Å; N424-V426 VanDerWaalsContact OD1-N 3.11Å; N424-Q431 PolarHBondContact ND2-OE1 2.69Å; N424-Q431 PolarHBondContact OD1-NE2 3.12Å; N424-Q431 VanDerWaalsContact OD1-NE2 3.13Å
425	Y	98.9	Very high	98.2	Very high	5 Å²	5	64.5 Å²	64.5	2%	0.02	34%	0.337	C	S	.	.			trans	-82	14.7	177.7	-55.1	-72.9	0	0	0	114.4	F268 N361 V377 T411 L414 T417 F421 D422 L423	F268-Y425 HydrophobicContact CD1-CD1 4.23Å; F268-Y425 HydrophobicContact CD1-CE1 4.14Å; F268-Y425 AromaticContact CD2-CD1 3.68Å; F268-Y425 HydrophobicContact CD2-CD1 3.68Å; F268-Y425 HydrophobicContact CD2-CE1 4.38Å; F268-Y425 AromaticContact CD2-CG 3.98Å; F268-Y425 HydrophobicContact CD2-CG 3.98Å; F268-Y425 HydrophobicContact CE1-CD1 4.32Å; F268-Y425 HydrophobicContact CE1-CE1 4.28Å; F268-Y425 AromaticContact CE2-CD1 3.79Å; F268-Y425 HydrophobicContact CE2-CD1 3.79Å; F268-Y425 HydrophobicContact CE2-CG 4.42Å; F268-Y425 AromaticContact CG-CD1 3.9Å; F268-Y425 HydrophobicContact CG-CD1 3.9Å; F268-Y425 HydrophobicContact CG-CE1 4.18Å; F268-Y425 HydrophobicContact CG-CG 4.29Å; F268-Y425 HydrophobicContact CZ-CD1 4.1Å; F268-Y425 HydrophobicContact CZ-CE1 4.47Å; N361-Y425 PolarHBondContact OD1-OH 2.69Å; V377-Y425 HydrophobicContact CB-CD1 4.17Å; V377-Y425 HydrophobicContact CG1-CD1 4.34Å; V377-Y425 CarbonylContact O-C 3.59Å; V377-Y425 WeakPolarHBondContact O-CA 3.21Å; V377-Y425 VanDerWaalsContact O-O 3.1Å; T411-Y425 VanDerWaalsContact CB-O 3.22Å; T411-Y425 WeakPolarHBondContact CB-O 3.46Å; T411-Y425 PolarHBondContact OG1-O 3.47Å; L414-Y425 VanDerWaalsContact CD2-CB 3.46Å; L414-Y425 HydrophobicContact CD2-CD2 4.09Å; L414-Y425 HydrophobicContact CD2-CG 4.02Å; T417-Y425 HydrophobicContact CG2-CD2 4.32Å; T417-Y425 HydrophobicContact CG2-CE2 4.42Å; F421-Y425 VanDerWaalsContact C-CE2 3.49Å; F421-Y425 WeakPolarHBondContact CA-OH 3.21Å; F421-Y425 HydrophobicContact CB-CE2 3.8Å; D422-Y425 PolarHBondContact N-OH 3.35Å; L423-Y425 HydrophobicContact CB-CD1 4.49Å; L423-Y425 HydrophobicContact CB-CE1 3.86Å; L423-Y425 HydrophobicContact CB-CE2 4.07Å; L423-Y425 HydrophobicContact CD1-CE1 4.43Å; L423-Y425 HydrophobicContact CG-CE1 4.37Å; L423-Y425 PolarHBondContact N-OH 3.33Å; L423-Y425 WeakPolarHBondContact O-CD2 3.44Å; L423-Y425 WeakPolarHBondContact O-CE2 3.48Å; L423-Y425 PolarHBondContact O-N 2.92Å
426	V	98.9	Very high	98	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.351	C	S	.	.			trans	47.7	55.2	-172.2	-165.8	0	0	0	0	110.9	A376 V377 L408 P410 T411 N424 L428 K429 Q431	A376-V426 HydrophobicContact CB-CG2 3.98Å; V377-V426 WeakPolarHBondContact O-CG2 3.47Å; V377-V426 PolarHBondContact O-N 3.15Å; L408-V426 HydrophobicContact CB-CG1 4.27Å; L408-V426 HydrophobicContact CB-CG2 4.18Å; L408-V426 HydrophobicContact CD1-CG2 4.02Å; P410-V426 CarbonylContact C-O 3.6Å; P410-V426 VanDerWaalsContact CA-O 3.27Å; P410-V426 WeakPolarHBondContact CA-O 3.35Å; T411-V426 PolarHBondContact N-O 3.43Å; N424-V426 PolarHBondContact O-N 2.93Å; N424-V426 PolarHBondContact OD1-N 3.25Å; N424-V426 VanDerWaalsContact OD1-N 3.11Å; V426-L428 PolarHBondContact O-N 3Å; V426-K429 WeakPolarHBondContact CG1-O 3.15Å; V426-Q431 HydrophobicContact CG1-CB 4.09Å; V426-Q431 HydrophobicContact CG1-CG 3.79Å
427	P	98.8	Very high	97.9	Very high	58 Å²	58	73.5 Å²	73.5	38%	0.377	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-67	131.4	-169.6	27.5	-34.6	0	0	0	111.2	L414 K429	L414-P427 HydrophobicContact CB-CB 4.27Å; L414-P427 HydrophobicContact CD2-CB 4.29Å; L414-P427 HydrophobicContact CG-CB 4.37Å; L414-P427 WeakPolarHBondContact O-CB 3.2Å; P427-K429 PolarHBondContact O-N 2.92Å
428	L	98.6	Very high	97.9	Very high	91 Å²	91	75.4 Å²	75.4	48%	0.476	37%	0.366	S	S	.	.	S	Bend	trans	66.6	-38.3	169.2	-52.1	174.9	0	0	0	117.1	T411 V426	T411-L428 PolarHBondContact O-N 3.46Å; V426-L428 PolarHBondContact O-N 3Å
429	K	98.8	Very high	97.9	Very high	166 Å²	166	72.5 Å²	72.5	72%	0.722	35%	0.353	S	S	*	.	S	Bend	trans	-131.2	136.7	-172.6	-172.1	176.2	178.4	177.1	0	111.6	V426 P427	V426-K429 WeakPolarHBondContact CG1-O 3.15Å; P427-K429 PolarHBondContact O-N 2.92Å
430	A	98.8	Very high	98	Very high	20 Å²	20	66.9 Å²	66.9	17%	0.165	32%	0.316	C	S	.	.			trans	-54.7	144.7	175.5	0	0	0	0	0	111.7	I68 L408	I68-A430 HydrophobicContact CD1-CB 4.14Å; I68-A430 HydrophobicContact CG2-CB 3.93Å; I68-A430 WeakPolarHBondContact O-CB 3.45Å; L408-A430 VanDerWaalsContact O-CA 3.23Å; L408-A430 WeakPolarHBondContact O-CA 3.43Å; L408-A430 VanDerWaalsContact O-CB 3.31Å; L408-A430 WeakPolarHBondContact O-CB 3.27Å
431	Q	98.9	Very high	98	Very high	52 Å²	52	63.2 Å²	63.2	24%	0.243	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.8	179.6	-70.7	174.2	10.5	0	0	110.2	L408 N424 V426	L408-Q431 PolarHBondContact N-O 3.39Å; L408-Q431 PolarHBondContact O-N 3.33Å; N424-Q431 PolarHBondContact ND2-OE1 2.69Å; N424-Q431 PolarHBondContact OD1-NE2 3.12Å; N424-Q431 VanDerWaalsContact OD1-NE2 3.13Å; V426-Q431 HydrophobicContact CG1-CB 4.09Å; V426-Q431 HydrophobicContact CG1-CG 3.79Å
432	E	98.6	Very high	98	Very high	100 Å²	100	63.1 Å²	63.1	47%	0.467	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137.7	163.8	-62.8	-66	157.2	0	0	108.2	K407 K434	K407-E432 VanDerWaalsContact CD-OE1 3.27Å; K407-E432 WeakPolarHBondContact CD-OE1 3.15Å; K407-E432 WeakPolarHBondContact CE-OE1 3.25Å; K407-E432 IonicContact NZ-OE1 2.72Å; K407-E432 PolarHBondContact NZ-OE1 3.3Å; E432-K434 VanDerWaalsContact OE2-CE 3.23Å; E432-K434 WeakPolarHBondContact OE2-CE 3.4Å; E432-K434 IonicContact OE2-NZ 2.74Å; E432-K434 PolarHBondContact OE2-NZ 3.32Å
433	W	98.2	Very high	98.1	Very high	61 Å²	61	59.9 Å²	59.9	23%	0.231	28%	0.281	C	S	.	.			trans	-133.6	68.3	-177.9	-163.1	-84.1	0	0	0	110.6	A374 A376 Q406 L408 F439	A374-W433 VanDerWaalsContact O-CZ2 3.31Å; A374-W433 WeakPolarHBondContact O-CZ2 3.37Å; A376-W433 HydrophobicContact CB-CE3 4.11Å; A376-W433 HydrophobicContact CB-CH2 4.01Å; A376-W433 HydrophobicContact CB-CZ2 4.48Å; A376-W433 HydrophobicContact CB-CZ3 3.82Å; Q406-W433 PolarHBondContact O-N 2.93Å; L408-W433 HydrophobicContact CD1-CB 3.92Å; L408-W433 HydrophobicContact CD1-CD2 3.91Å; L408-W433 HydrophobicContact CD1-CE3 3.67Å; L408-W433 HydrophobicContact CD1-CG 4.05Å; L408-W433 HydrophobicContact CD1-CZ3 4.46Å; L408-W433 HydrophobicContact CD2-CB 4.08Å; L408-W433 HydrophobicContact CG-CB 3.82Å; L408-W433 HydrophobicContact CG-CG 4.42Å; W433-F439 HydrophobicContact CB-CE2 4.13Å; W433-F439 AromaticContact CD1-CE2 3.65Å; W433-F439 HydrophobicContact CG-CE2 4.14Å
434	K	96.2	Very high	98.1	Very high	126 Å²	126	59.2 Å²	59.2	55%	0.548	28%	0.277	S	S	.	.			trans	-77.1	132.2	-175.5	-56	-52.7	177.7	-148.7	0	111	Y405 Q406 E432	Y405-K434 PolarHBondContact O-NZ 3.41Å; Q406-K434 HydrophobicContact CB-CD 3.95Å; Q406-K434 PolarHBondContact O-NZ 2.69Å; E432-K434 VanDerWaalsContact OE2-CE 3.23Å; E432-K434 WeakPolarHBondContact OE2-CE 3.4Å; E432-K434 IonicContact OE2-NZ 2.74Å; E432-K434 PolarHBondContact OE2-NZ 3.32Å
435	T	95.1	Very high	98.1	Very high	36 Å²	36	57 Å²	57	22%	0.221	27%	0.265	C	S	.	.			trans	-143.6	138.6	176.1	176.6	0	0	0	0	109.7	Q406 K437 F439	Q406-T435 PolarHBondContact NE2-O 2.92Å; T435-K437 VanDerWaalsContact C-N 3.28Å; T435-K437 VanDerWaalsContact CG2-O 3.31Å; T435-K437 WeakPolarHBondContact CG2-O 3.32Å; T435-K437 PolarHBondContact OG1-N 3.26Å; T435-K437 VanDerWaalsContact OG1-N 3.1Å; T435-K437 PolarHBondContact OG1-O 3.03Å; T435-F439 HydrophobicContact CG2-CB 4.13Å; T435-F439 HydrophobicContact CG2-CD2 4.12Å
436	E	94	Very high	98	Very high	198 Å²	198	58.2 Å²	58.2	93%	0.925	27%	0.271	S	S	*	.	S	Bend	trans	-77.8	-18.3	171.6	-58.2	-58.1	144.7	0	0	111.6
437	K	95.9	Very high	97.9	Very high	171 Å²	171	58.6 Å²	58.6	74%	0.743	28%	0.275	S	S	*	.	S	Bend	trans	-81	164.3	170.9	-64.1	-175.7	-179.8	-179.9	0	109.9	T435 F439	T435-K437 VanDerWaalsContact C-N 3.28Å; T435-K437 VanDerWaalsContact CG2-O 3.31Å; T435-K437 WeakPolarHBondContact CG2-O 3.32Å; T435-K437 PolarHBondContact OG1-N 3.26Å; T435-K437 VanDerWaalsContact OG1-N 3.1Å; T435-K437 PolarHBondContact OG1-O 3.03Å; K437-F439 PolarHBondContact O-N 3.14Å
438	R	97.5	Very high	97.8	Very high	104 Å²	104	59.2 Å²	59.2	39%	0.392	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-55.5	124.7	173.3	-164	174.3	-167.8	-179.4	2	110	E302 I440 A458 G459	E302-R438 IonicContact OE2-CZ 3.53Å; E302-R438 IonicContact OE2-NH1 3.98Å; E302-R438 IonicContact OE2-NH2 2.82Å; E302-R438 PolarHBondContact OE2-NH2 2.89Å; R438-I440 HydrophobicContact CG-CG1 4.36Å; R438-I440 PolarHBondContact O-N 2.93Å; R438-A458 HydrophobicContact CG-CB 4.32Å; R438-G459 PolarHBondContact NE-O 2.93Å; R438-G459 PolarHBondContact NH2-O 2.88Å
439	F	98.8	Very high	97.8	Very high	3 Å²	3	57.4 Å²	57.4	1%	0.013	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-76.2	122.4	174.2	-174.7	-74	0	0	0	108.8	Y345 C403 Q406 L408 W433 T435 K437 A458 G459	Y345-F439 HydrophobicContact CG-CZ 4.43Å; C403-F439 HydrophobicContact CB-CD1 3.98Å; C403-F439 HydrophobicContact CB-CE1 4.38Å; C403-F439 VanDerWaalsContact SG-CD1 3.6Å; Q406-F439 HydrophobicContact CB-CD2 4.37Å; Q406-F439 HydrophobicContact CG-CB 4.26Å; Q406-F439 HydrophobicContact CG-CD2 4Å; Q406-F439 HydrophobicContact CG-CG 4.33Å; L408-F439 HydrophobicContact CD2-CE2 4.11Å; L408-F439 HydrophobicContact CD2-CZ 3.7Å; W433-F439 HydrophobicContact CB-CE2 4.13Å; W433-F439 AromaticContact CD1-CE2 3.65Å; W433-F439 HydrophobicContact CG-CE2 4.14Å; T435-F439 HydrophobicContact CG2-CB 4.13Å; T435-F439 HydrophobicContact CG2-CD2 4.12Å; K437-F439 PolarHBondContact O-N 3.14Å; F439-A458 CarbonylContact O-C 3.57Å; F439-A458 VanDerWaalsContact O-CA 3.29Å; F439-A458 WeakPolarHBondContact O-CA 3.15Å; F439-G459 PolarHBondContact O-N 3.13Å
440	I	98.9	Very high	97.7	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127	179.9	-48.8	-178.2	0	0	0	109.5	V338 E342 I343 S344 Y345 R438 C456 A458	V338-I440 HydrophobicContact CG1-CD1 3.83Å; V338-I440 HydrophobicContact CG1-CG2 4.5Å; V338-I440 HydrophobicContact CG2-CD1 4.01Å; E342-I440 HydrophobicContact CB-CD1 4.12Å; I343-I440 HydrophobicContact CD1-CB 4.06Å; I343-I440 HydrophobicContact CD1-CG2 3.5Å; I343-I440 VanDerWaalsContact CD1-CG2 3.5Å; S344-I440 PolarHBondContact N-O 2.61Å; Y345-I440 PolarHBondContact N-O 2.98Å; R438-I440 HydrophobicContact CG-CG1 4.36Å; R438-I440 PolarHBondContact O-N 2.93Å; I440-C456 VanDerWaalsContact CG2-SG 3.58Å; I440-A458 HydrophobicContact CB-CB 4.5Å; I440-A458 HydrophobicContact CG1-CB 4.02Å; I440-A458 HydrophobicContact CG2-CB 4.38Å
441	G	98.9	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.2	177.7	0	0	0	0	0	112.5	Y345 I457	Y345-G441 CarbonylContact O-C 3.55Å; Y345-G441 WeakPolarHBondContact O-CA 3.49Å; G441-I457 PolarHBondContact N-O 3.45Å; G441-I457 PolarHBondContact O-N 3.43Å; G441-I457 VanDerWaalsContact O-O 3.14Å
442	L	98.9	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	147.2	162.9	-59	-173.6	0	0	0	110.2	L333 I343 Y345 I346 N347 F368 T454 L455 C456	L333-L442 HydrophobicContact CD2-CD1 4.28Å; L333-L442 HydrophobicContact CD2-CD2 4.13Å; I343-L442 HydrophobicContact CD1-CD2 3.98Å; I343-L442 HydrophobicContact CD1-CG 4Å; I343-L442 HydrophobicContact CG1-CD1 4.38Å; I343-L442 HydrophobicContact CG1-CG 4.29Å; I343-L442 HydrophobicContact CG2-CG 4.24Å; Y345-L442 PolarHBondContact O-N 3.02Å; I346-L442 CarbonylContact C-O 3.58Å; I346-L442 WeakPolarHBondContact CA-O 3.3Å; I346-L442 HydrophobicContact CG1-CB 4.3Å; I346-L442 HydrophobicContact CG2-CB 4.45Å; N347-L442 PolarHBondContact N-O 3.14Å; F368-L442 HydrophobicContact CE2-CD1 4.37Å; F368-L442 HydrophobicContact CZ-CD1 3.71Å; L442-T454 HydrophobicContact CB-CG2 4.04Å; L442-T454 HydrophobicContact CD1-CG2 4.18Å; L442-T454 HydrophobicContact CD2-CG2 4.1Å; L442-T454 HydrophobicContact CG-CG2 4.34Å; L442-L455 WeakPolarHBondContact CA-O 3.41Å; L442-C456 HydrophobicContact CD2-CB 3.65Å
443	T	98.9	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.7	165.9	-177.9	0	0	0	0	109.5	N347 E395 A396 T399 T454 L455 I457	N347-T443 WeakPolarHBondContact O-CA 3.48Å; E395-T443 WeakPolarHBondContact CB-OG1 3.17Å; A396-T443 HydrophobicContact CB-CG2 4.17Å; T399-T443 WeakPolarHBondContact OG1-CB 3.21Å; T443-T454 WeakPolarHBondContact O-CA 3.4Å; T443-L455 HydrophobicContact CG2-CB 3.71Å; T443-L455 HydrophobicContact CG2-CD1 4.09Å; T443-L455 HydrophobicContact CG2-CG 4.34Å; T443-L455 PolarHBondContact N-O 3.01Å; T443-L455 PolarHBondContact O-N 2.86Å; T443-I457 HydrophobicContact CG2-CD1 4.36Å
444	N	98.9	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.3	-173.2	-72.5	-17.8	0	0	0	111.9	M329 N347 H349 E360 F446 T454	M329-N444 WeakPolarHBondContact CG-OD1 3.24Å; M329-N444 PolarHBondContact SD-ND2 3.01Å; M329-N444 VanDerWaalsContact SD-ND2 3.38Å; N347-N444 PolarHBondContact O-N 2.69Å; H349-N444 HydrophobicContact CB-CB 4.21Å; E360-N444 VanDerWaalsContact OE1-CB 3.3Å; E360-N444 WeakPolarHBondContact OE1-CB 3.28Å; E360-N444 PolarHBondContact OE1-ND2 3.37Å; N444-F446 HydrophobicContact CB-CE1 4.07Å; N444-F446 HydrophobicContact CB-CE2 4.09Å; N444-F446 HydrophobicContact CB-CZ 3.59Å; N444-T454 WeakPolarHBondContact OD1-CG2 3.39Å; N444-T454 PolarHBondContact OD1-OG1 3.49Å
445	S	98.9	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	121.2	169.9	-64.1	0	0	0	0	110.8	T211 G392 A453	T211-S445 WeakPolarHBondContact CG2-O 3.26Å; T211-S445 PolarHBondContact OG1-O 3.49Å; G392-S445 WeakPolarHBondContact CA-OG 3.38Å; S445-A453 PolarHBondContact N-O 2.97Å; S445-A453 PolarHBondContact O-N 3.3Å
446	F	98.6	Very high	98.1	Very high	31 Å²	31	32.6 Å²	32.6	14%	0.136	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	112.7	-178	-47.8	-41.7	0	0	0	109.5	A325 C328 H349 E360 N444 N452	A325-F446 HydrophobicContact CB-CD1 4.44Å; A325-F446 HydrophobicContact CB-CD2 4.33Å; A325-F446 HydrophobicContact CB-CE1 3.88Å; A325-F446 HydrophobicContact CB-CE2 3.69Å; A325-F446 HydrophobicContact CB-CZ 3.44Å; A325-F446 VanDerWaalsContact CB-CZ 3.44Å; C328-F446 VanDerWaalsContact SG-CE1 3.56Å; H349-F446 HydrophobicContact CB-CD2 3.7Å; H349-F446 HydrophobicContact CB-CE2 4.03Å; H349-F446 HydrophobicContact CB-CG 4.24Å; H349-F446 PolarHBondContact CD2-O 3.32Å; H349-F446 PolarHBondContact CE1-O 2.87Å; H349-F446 PolarHBondContact NE2-O 3.36Å; E360-F446 HydrophobicContact CB-CE2 4.04Å; E360-F446 HydrophobicContact CG-CE2 3.76Å; E360-F446 WeakPolarHBondContact OE1-CE2 3.49Å; N444-F446 HydrophobicContact CB-CE1 4.07Å; N444-F446 HydrophobicContact CB-CE2 4.09Å; N444-F446 HydrophobicContact CB-CZ 3.59Å; F446-N452 HydrophobicContact CD1-CB 3.77Å; F446-N452 HydrophobicContact CE1-CB 4.27Å
447	G	96.2	Very high	98.3	Very high	8 Å²	8	23.2 Å²	23.2	8%	0.082	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	158.1	-169.1	0	0	0	0	0	113.2	T211 G450 T451	T211-G447 WeakPolarHBondContact OG1-CA 3.31Å; T211-G447 PolarHBondContact OG1-N 2.95Å; G447-G450 PolarHBondContact O-N 2.83Å; G447-T451 PolarHBondContact N-O 2.97Å; G447-T451 PolarHBondContact O-N 2.87Å
448	F	97.3	Very high	98.5	Very high	70 Å²	70	15 Å²	15	31%	0.307	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	146.4	165.2	-76.1	8	0	0	0	111.2	A209 F249 A254 T316 G450	A209-F448 HydrophobicContact CB-CB 4.22Å; F249-F448 HydrophobicContact CD1-CE2 4.17Å; F249-F448 HydrophobicContact CE1-CD2 4.46Å; F249-F448 AromaticContact CE1-CE2 3.85Å; F249-F448 HydrophobicContact CE1-CE2 3.85Å; F249-F448 HydrophobicContact CE1-CZ 4.43Å; A254-F448 HydrophobicContact CB-CZ 3.93Å; T316-F448 HydrophobicContact CG2-CD2 3.82Å; T316-F448 HydrophobicContact CG2-CE2 3.85Å; T316-F448 HydrophobicContact CG2-CG 4.16Å; T316-F448 HydrophobicContact CG2-CZ 4.23Å; F448-G450 VanDerWaalsContact C-N 3.28Å
449	G	97.1	Very high	98.5	Very high	54 Å²	54	10.6 Å²	10.6	56%	0.557	7%	0.071	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	1	-165.6	0	0	0	0	0	113.6	I315	I315-G449 PolarHBondContact O-N 3.45Å
450	G	97.8	Very high	98.2	Very high	6 Å²	6	16.4 Å²	16.4	6%	0.062	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	39.3	-179.3	0	0	0	0	0	112	G310 D311 G447 F448	G310-G450 CarbonylContact C-O 3.6Å; G310-G450 WeakPolarHBondContact CA-O 3.38Å; D311-G450 PolarHBondContact N-O 3Å; G447-G450 PolarHBondContact O-N 2.83Å; F448-G450 VanDerWaalsContact C-N 3.28Å
451	T	98.6	Very high	98.2	Very high	32 Å²	32	16.9 Å²	16.9	20%	0.196	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.2	-178.1	-176.4	0	0	0	0	110.5	T208 T211 H215 G447	T208-T451 WeakPolarHBondContact O-CG2 3.36Å; T211-T451 PolarHBondContact OG1-O 3.03Å; H215-T451 PolarHBondContact CE1-OG1 3.26Å; G447-T451 PolarHBondContact N-O 2.97Å; G447-T451 PolarHBondContact O-N 2.87Å
452	N	98.9	Very high	98.1	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.011	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.6	-167.8	-51.3	-47.4	0	0	0	111.8	L308 S309 D311 C328 F446	L308-N452 VanDerWaalsContact CA-O 3.31Å; L308-N452 WeakPolarHBondContact CA-O 3.38Å; S309-N452 PolarHBondContact N-O 2.9Å; S309-N452 PolarHBondContact O-N 2.85Å; S309-N452 WeakPolarHBondContact OG-CB 3.33Å; S309-N452 PolarHBondContact OG-ND2 3.03Å; D311-N452 PolarHBondContact OD1-ND2 3.2Å; C328-N452 HydrophobicContact CB-CB 4.03Å; F446-N452 HydrophobicContact CD1-CB 3.77Å; F446-N452 HydrophobicContact CE1-CB 4.27Å
453	A	98.9	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.7	171.8	0	0	0	0	0	112.5	T211 A214 Y306 G307 S445	T211-A453 HydrophobicContact CG2-CB 3.33Å; A214-A453 HydrophobicContact CB-CB 4.02Å; Y306-A453 HydrophobicContact CE2-CB 4.23Å; G307-A453 VanDerWaalsContact O-CA 3.3Å; G307-A453 WeakPolarHBondContact O-CA 3.35Å; S445-A453 PolarHBondContact N-O 2.97Å; S445-A453 PolarHBondContact O-N 3.3Å
454	T	98.9	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.9	168.2	-62.7	0	0	0	0	109.3	G307 C328 M329 A332 L442 T443 N444	G307-T454 PolarHBondContact N-O 3.35Å; G307-T454 PolarHBondContact O-N 3.29Å; C328-T454 PolarHBondContact SG-OG1 3.21Å; M329-T454 HydrophobicContact CG-CG2 4.13Å; M329-T454 VanDerWaalsContact CG-OG1 3.32Å; M329-T454 WeakPolarHBondContact CG-OG1 3.16Å; A332-T454 HydrophobicContact CB-CG2 3.72Å; A332-T454 WeakPolarHBondContact CB-O 3.47Å; L442-T454 HydrophobicContact CB-CG2 4.04Å; L442-T454 HydrophobicContact CD1-CG2 4.18Å; L442-T454 HydrophobicContact CD2-CG2 4.1Å; L442-T454 HydrophobicContact CG-CG2 4.34Å; T443-T454 WeakPolarHBondContact O-CA 3.4Å; N444-T454 WeakPolarHBondContact OD1-CG2 3.39Å; N444-T454 PolarHBondContact OD1-OG1 3.49Å
455	L	99	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.9	168.2	-60	164.8	0	0	0	109.4	A214 V217 Y306 A396 L442 T443 I457	A214-L455 HydrophobicContact CB-CD1 4.44Å; V217-L455 HydrophobicContact CB-CD1 3.86Å; V217-L455 HydrophobicContact CG1-CD1 3.7Å; V217-L455 HydrophobicContact CG1-CD2 4.47Å; Y306-L455 HydrophobicContact CD2-CD2 3.76Å; Y306-L455 HydrophobicContact CE2-CD2 4.45Å; Y306-L455 HydrophobicContact CG-CD2 4.16Å; A396-L455 HydrophobicContact CB-CD1 4.06Å; L442-L455 WeakPolarHBondContact CA-O 3.41Å; T443-L455 HydrophobicContact CG2-CB 3.71Å; T443-L455 HydrophobicContact CG2-CD1 4.09Å; T443-L455 HydrophobicContact CG2-CG 4.34Å; T443-L455 PolarHBondContact N-O 3.01Å; T443-L455 PolarHBondContact O-N 2.86Å; L455-I457 HydrophobicContact CB-CD1 4.48Å; L455-I457 HydrophobicContact CB-CG1 4.42Å
456	C	98.9	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.8	171.4	-177.4	0	0	0	0	109	L304 G305 A336 I440 L442	L304-C456 PolarHBondContact N-O 2.95Å; G305-C456 PolarHBondContact N-O 3.35Å; G305-C456 PolarHBondContact O-N 3.3Å; A336-C456 HydrophobicContact CB-CB 4.02Å; I440-C456 VanDerWaalsContact CG2-SG 3.58Å; L442-C456 HydrophobicContact CD2-CB 3.65Å
457	I	98.9	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.6	-174.1	-59.4	173.1	0	0	0	108.1	I47 A301 E302 A396 T399 C403 G441 T443 L455	I47-I457 HydrophobicContact CD1-CG2 4.48Å; A301-I457 HydrophobicContact CB-CG2 3.53Å; E302-I457 CarbonylContact O-C 3.58Å; E302-I457 WeakPolarHBondContact O-CA 3.11Å; A396-I457 HydrophobicContact CB-CD1 4.26Å; T399-I457 HydrophobicContact CG2-CB 4.41Å; T399-I457 HydrophobicContact CG2-CD1 4.44Å; C403-I457 PolarHBondContact SG-O 2.68Å; G441-I457 PolarHBondContact N-O 3.45Å; G441-I457 PolarHBondContact O-N 3.43Å; G441-I457 VanDerWaalsContact O-O 3.14Å; T443-I457 HydrophobicContact CG2-CD1 4.36Å; L455-I457 HydrophobicContact CB-CD1 4.48Å; L455-I457 HydrophobicContact CB-CG1 4.42Å
458	A	98.9	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.3	-178.3	0	0	0	0	0	113	A301 E302 L304 R438 F439 I440	A301-A458 CarbonylContact C-O 3.54Å; A301-A458 VanDerWaalsContact CA-O 3.28Å; A301-A458 WeakPolarHBondContact CA-O 3.18Å; A301-A458 VanDerWaalsContact CB-O 3.28Å; A301-A458 WeakPolarHBondContact CB-O 3.37Å; E302-A458 PolarHBondContact N-O 3.45Å; E302-A458 PolarHBondContact O-N 2.93Å; L304-A458 HydrophobicContact CD1-CB 3.44Å; L304-A458 VanDerWaalsContact CD1-CB 3.44Å; L304-A458 HydrophobicContact CG-CB 3.92Å; R438-A458 HydrophobicContact CG-CB 4.32Å; F439-A458 CarbonylContact O-C 3.57Å; F439-A458 VanDerWaalsContact O-CA 3.29Å; F439-A458 WeakPolarHBondContact O-CA 3.15Å; I440-A458 HydrophobicContact CB-CB 4.5Å; I440-A458 HydrophobicContact CG1-CB 4.02Å; I440-A458 HydrophobicContact CG2-CB 4.38Å
459	G	97.9	Very high	98.1	Very high	10 Å²	10	19.1 Å²	19.1	10%	0.103	13%	0.129	C	C	.	.			trans	-58.2	156.5	164.5	0	0	0	0	0	110.9	R438 F439	R438-G459 PolarHBondContact NE-O 2.93Å; R438-G459 PolarHBondContact NH2-O 2.88Å; F439-G459 PolarHBondContact O-N 3.13Å
460	M	93.1	Very high	98.2	Very high	125 Å²	125	15.9 Å²	15.9	62%	0.616	9%	0.09	S	C	*	.			trans	-106.1	0	-178.3	-82.8	-149.8	56.6	0	0	113	V46 Y289 I299 E302	V46-M460 HydrophobicContact CG1-SD 3.73Å; Y289-M460 HydrophobicContact CD2-CE 4.36Å; Y289-M460 HydrophobicContact CD2-SD 4.34Å; Y289-M460 HydrophobicContact CE2-CE 3.36Å; Y289-M460 HydrophobicContact CE2-SD 3.79Å; Y289-M460 WeakPolarHBondContact OH-CE 3.39Å; I299-M460 HydrophobicContact CB-SD 4.41Å; I299-M460 HydrophobicContact CD1-SD 4.32Å; I299-M460 HydrophobicContact CG2-CG 4.2Å; I299-M460 HydrophobicContact CG2-SD 3.47Å; I299-M460 WeakPolarHBondContact CG2-SD 3.44Å; E302-M460 HydrophobicContact CB-CG 4.23Å

Retrieved 460 of 460 residues in 90.8 ms (Link to these results)

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