A0A5K4F6L3_SCHMA Loading...

Dyp-type peroxidase

AlphaFold DB , UniProt , Accession A0A5K4F6L3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 371 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	29.9	Very low	233 Å²	233	160.5 Å²	160.5	100%	1.148	85%	0.846	S	S	*	*				0	118.3	0	-94.3	178.1	171.8	0	0	108.2
2	S	30.1	Very low	29.9	Very low	109 Å²	109	158.2 Å²	158.2	76%	0.762	84%	0.844	S	S	*	*			trans	-74.9	138.4	177.6	62	0	0	0	0	111
3	F	35.1	Very low	29.6	Very low	190 Å²	190	163.2 Å²	163.2	83%	0.833	84%	0.844	S	S	*	*			trans	-131.6	105.1	158.3	-88.3	-79.8	0	0	0	111.3
4	L	29.9	Very low	29.7	Very low	130 Å²	130	166.1 Å²	166.1	68%	0.681	85%	0.847	S	S	*	*			trans	30.5	114.8	146	-88.5	83.5	0	0	0	120.7
5	V	28.1	Very low	29.5	Very low	146 Å²	146	163.3 Å²	163.3	89%	0.885	84%	0.841	S	S	*	*			trans	-62.1	131	144.7	175.8	0	0	0	0	109.9
6	K	32.3	Very low	29.6	Very low	190 Å²	190	160.4 Å²	160.4	83%	0.826	84%	0.836	S	S	*	*			trans	-135.5	125.9	168.9	-102.8	-175.6	177.7	178.4	0	110.4
7	G	28.6	Very low	29.6	Very low	79 Å²	79	160.4 Å²	160.4	81%	0.814	84%	0.835	S	S	*	*			trans	113.5	72.4	145.5	0	0	0	0	0	117.7
8	I	25.5	Very low	29.6	Very low	171 Å²	171	158.5 Å²	158.5	88%	0.877	83%	0.832	S	S	*	*			trans	-78.2	128	155.1	-64.6	168.2	0	0	0	107.6
9	R	30.3	Very low	29.5	Very low	239 Å²	239	160 Å²	160	90%	0.902	83%	0.834	S	S	*	*			trans	-136.1	108.3	163.5	-89.6	-170.9	175.7	-175.3	-0.7	112
10	N	28.2	Very low	29.4	Very low	144 Å²	144	157.4 Å²	157.4	77%	0.77	83%	0.828	S	S	*	*			trans	45.7	103.9	144.5	-73	-12.8	0	0	0	120.6
11	V	25.9	Very low	29.1	Very low	134 Å²	134	157.6 Å²	157.6	81%	0.812	83%	0.829	S	S	*	*			trans	-80.4	117	152	175.1	0	0	0	0	108.4
12	T	29.3	Very low	28.7	Very low	133 Å²	133	154.2 Å²	154.2	82%	0.816	82%	0.815	S	S	*	*			trans	-111.2	103.9	165	25.4	0	0	0	0	109.6
13	R	26.7	Very low	28.7	Very low	223 Å²	223	155.3 Å²	155.3	84%	0.842	82%	0.816	S	S	*	*			trans	-66.4	128.5	165.5	-76.9	177.8	171.1	-177.4	-3.3	109.5
14	K	30.7	Very low	28.2	Very low	205 Å²	205	149.6 Å²	149.6	89%	0.891	81%	0.811	S	S	*	*			trans	-130.3	99.9	153.4	-83.1	-170	176.3	-177.4	0	108.6
15	T	26.6	Very low	27.9	Very low	123 Å²	123	147.1 Å²	147.1	76%	0.755	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.4	126.5	169.3	-14.2	0	0	0	0	108.3
16	P	31.7	Very low	27.9	Very low	117 Å²	117	145.6 Å²	145.6	76%	0.76	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-72.3	132.4	167.1	-14.6	29.5	0	0	0	110.3
17	I	29.6	Very low	27.6	Very low	160 Å²	160	147 Å²	147	82%	0.821	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.7	131.3	178.8	-69.1	155	0	0	0	109.6
18	T	28.2	Very low	27.6	Very low	127 Å²	127	150.8 Å²	150.8	78%	0.779	82%	0.82	S	S	*	*			trans	-86.6	103.5	176.6	-35.2	0	0	0	0	108.5
19	E	28.2	Very low	27.7	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	81%	0.811	S	S	*	*			trans	-86.2	104.3	161.8	-78.7	-174	164.1	0	0	107.9
20	C	26.9	Very low	27.5	Very low	107 Å²	107	142.6 Å²	142.6	72%	0.723	81%	0.806	S	S	*	*			trans	-110.4	106.6	175.2	-158.9	0	0	0	0	107.9	I22	C20-I22 PolarHBondContact O-N 3.15Å
21	L	24.3	Very low	27.3	Very low	162 Å²	162	145.3 Å²	145.3	85%	0.848	81%	0.807	S	S	*	*			trans	-75.9	115	171.5	-112.4	122.3	0	0	0	108.8
22	I	27	Very low	27.6	Very low	163 Å²	163	142.8 Å²	142.8	84%	0.836	80%	0.8	S	S	*	*			trans	-80.6	118.2	177.4	-62.7	170.5	0	0	0	108.4	C20	C20-I22 PolarHBondContact O-N 3.15Å
23	V	29.6	Very low	27.7	Very low	131 Å²	131	142.6 Å²	142.6	79%	0.794	80%	0.799	S	S	*	*			trans	-135.5	118.9	166.3	-176.8	0	0	0	0	109.7
24	G	25.6	Very low	28	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	79%	0.79	S	S	*	*			trans	82.5	113.8	148.4	0	0	0	0	0	117.2
25	G	23.4	Very low	28.4	Very low	77 Å²	77	132.9 Å²	132.9	79%	0.794	77%	0.767	S	S	*	*			trans	-58.1	145.5	-176.4	0	0	0	0	0	116.4
26	S	27.8	Very low	29.1	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	77%	0.767	S	S	*	*			trans	-161.6	127.3	148.3	-75.6	0	0	0	0	108	L28	S26-L28 PolarHBondContact O-N 3.18Å
27	F	26.3	Very low	29.4	Very low	220 Å²	220	137.7 Å²	137.7	97%	0.965	77%	0.765	S	S	*	*			trans	-59.8	118.5	178.4	-95.4	-108.8	0	0	0	110.8
28	L	28.1	Very low	29.9	Very low	159 Å²	159	135.8 Å²	135.8	83%	0.832	75%	0.753	S	S	*	*			trans	-113.8	115.6	169.5	-84.1	163.4	0	0	0	109.8	S26	S26-L28 PolarHBondContact O-N 3.18Å
29	V	26.7	Very low	30.4	Very low	114 Å²	114	134.2 Å²	134.2	69%	0.691	74%	0.739	S	S	*	*			trans	-61.5	136.8	169.6	176.2	0	0	0	0	108.7	Y31	V29-Y31 PolarHBondContact O-N 3.36Å
30	P	26.8	Very low	30.8	Very low	123 Å²	123	130 Å²	130	80%	0.799	72%	0.722	S	S	*	*			trans	-67.9	97.2	-178.1	26.8	-33.9	0	0	0	110.5	A32	P30-A32 PolarHBondContact O-N 3.26Å
31	Y	24.6	Very low	31.2	Very low	201 Å²	201	127.4 Å²	127.4	79%	0.788	71%	0.705	S	S	*	*			trans	-64.2	116.8	156.6	-81.4	-90.9	0	0	0	106.9	V29 V33	V29-Y31 PolarHBondContact O-N 3.36Å; Y31-V33 VanDerWaalsContact C-N 3.25Å; Y31-V33 PolarHBondContact O-N 2.75Å
32	A	30.9	Very low	31.7	Very low	81 Å²	81	127.7 Å²	127.7	67%	0.669	70%	0.699	S	S	*	*			trans	-60.5	95.6	165.5	0	0	0	0	0	107.3	P30 Y34	P30-A32 PolarHBondContact O-N 3.26Å; A32-Y34 HydrophobicContact CB-CE2 4.5Å; A32-Y34 PolarHBondContact O-N 3.38Å
33	V	31.1	Very low	32.1	Very low	130 Å²	130	127.5 Å²	127.5	79%	0.788	69%	0.688	S	S	*	*			trans	-69.8	88.4	174.4	-178.3	0	0	0	0	106.3	Y31 S35	Y31-V33 VanDerWaalsContact C-N 3.25Å; Y31-V33 PolarHBondContact O-N 2.75Å; V33-S35 PolarHBondContact O-N 2.99Å
34	Y	33.2	Very low	32.4	Very low	165 Å²	165	126.8 Å²	126.8	65%	0.647	68%	0.679	S	S	*	*			trans	-58.5	114.3	158.1	-76.8	-81.6	0	0	0	106.3	A32 K36	A32-Y34 HydrophobicContact CB-CE2 4.5Å; A32-Y34 PolarHBondContact O-N 3.38Å; Y34-K36 PolarHBondContact O-N 3.3Å; Y34-K36 VanDerWaalsContact O-N 3.17Å
35	S	39.4	Very low	32.8	Very low	59 Å²	59	131.8 Å²	131.8	41%	0.413	68%	0.681	S	S	.	*			trans	-53.8	124.9	174.4	173.8	0	0	0	0	107.7	V33 K37 E38	V33-S35 PolarHBondContact O-N 2.99Å; S35-K37 PolarHBondContact O-N 3.08Å; S35-K37 PolarHBondContact OG-N 3.03Å; S35-E38 PolarHBondContact O-N 3.2Å
36	K	42.5	Very low	33.5	Very low	173 Å²	173	133 Å²	133	75%	0.752	67%	0.673	S	S	*	*	H	α-helix	trans	-44.7	-29.9	173.8	-84.9	-175.3	174.6	-178	0	111.7	Y34 E38 I39 L40	Y34-K36 PolarHBondContact O-N 3.3Å; Y34-K36 VanDerWaalsContact O-N 3.17Å; K36-E38 PolarHBondContact O-N 3.27Å; K36-I39 PolarHBondContact O-N 3.41Å; K36-L40 HydrophobicContact CB-CD1 4.36Å; K36-L40 VanDerWaalsContact O-CB 3.26Å; K36-L40 WeakPolarHBondContact O-CB 3.28Å; K36-L40 WeakPolarHBondContact O-CD1 3.4Å; K36-L40 PolarHBondContact O-N 3.1Å
37	K	37.9	Very low	34.3	Very low	168 Å²	168	130.5 Å²	130.5	73%	0.73	65%	0.648	S	S	*	*	H	α-helix	trans	-61.1	-37.9	176.7	-70.6	-173.2	173.5	-177.2	0	114.7	S35 S41	S35-K37 PolarHBondContact O-N 3.08Å; S35-K37 PolarHBondContact OG-N 3.03Å; K37-S41 WeakPolarHBondContact O-CB 3.42Å; K37-S41 PolarHBondContact O-N 3.11Å; K37-S41 PolarHBondContact O-OG 3.04Å
38	E	38.7	Very low	35.1	Very low	120 Å²	120	123 Å²	123	56%	0.561	63%	0.628	S	S	*	*	H	α-helix	trans	-76.2	-35.7	-179.9	-80.3	-172	156.3	0	0	112.4	S35 K36 S41 K42	S35-E38 PolarHBondContact O-N 3.2Å; K36-E38 PolarHBondContact O-N 3.27Å; E38-S41 PolarHBondContact O-N 3.03Å; E38-S41 PolarHBondContact O-OG 2.62Å; E38-S41 VanDerWaalsContact O-OG 3.11Å; E38-K42 PolarHBondContact O-N 2.97Å; E38-K42 VanDerWaalsContact O-N 3.11Å
39	I	39.7	Very low	36	Very low	93 Å²	93	117.4 Å²	117.4	48%	0.477	60%	0.604	S	S	.	*	H	α-helix	trans	-68.1	-40.6	173.3	-62.1	173.7	0	0	0	109.7	K36 R43	K36-I39 PolarHBondContact O-N 3.41Å; I39-R43 WeakPolarHBondContact O-CB 3.3Å; I39-R43 WeakPolarHBondContact O-CG 3.28Å; I39-R43 PolarHBondContact O-N 2.95Å; I39-R43 VanDerWaalsContact O-N 3.09Å
40	L	35.5	Very low	37	Very low	99 Å²	99	113.7 Å²	113.7	52%	0.518	58%	0.582	S	S	.	*	H	α-helix	trans	-65.1	-39.7	174.1	-94.4	144.3	0	0	0	112.6	K36 R43 L44	K36-L40 HydrophobicContact CB-CD1 4.36Å; K36-L40 VanDerWaalsContact O-CB 3.26Å; K36-L40 WeakPolarHBondContact O-CB 3.28Å; K36-L40 WeakPolarHBondContact O-CD1 3.4Å; K36-L40 PolarHBondContact O-N 3.1Å; L40-R43 PolarHBondContact O-N 3.49Å; L40-L44 HydrophobicContact CD2-CD1 4.36Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; L40-L44 PolarHBondContact O-N 3.13Å
41	S	36.3	Very low	38.3	Very low	53 Å²	53	109.4 Å²	109.4	37%	0.371	56%	0.557	S	S	.	*	H	α-helix	trans	-70.7	-45.4	-178.5	69.3	0	0	0	0	111.9	K37 E38 R43 L44 F45	K37-S41 WeakPolarHBondContact O-CB 3.42Å; K37-S41 PolarHBondContact O-N 3.11Å; K37-S41 PolarHBondContact O-OG 3.04Å; E38-S41 PolarHBondContact O-N 3.03Å; E38-S41 PolarHBondContact O-OG 2.62Å; E38-S41 VanDerWaalsContact O-OG 3.11Å; S41-R43 VanDerWaalsContact C-N 3.25Å; S41-R43 PolarHBondContact O-N 2.95Å; S41-L44 PolarHBondContact O-N 3.26Å; S41-F45 VanDerWaalsContact O-CD2 3.29Å; S41-F45 WeakPolarHBondContact O-CD2 3.42Å; S41-F45 PolarHBondContact O-N 3.23Å
42	K	34.7	Very low	39.9	Very low	168 Å²	168	105 Å²	105	73%	0.73	55%	0.551	S	S	*	*	H	α-helix	trans	-62.1	-35.5	174.3	-81.3	-172.5	176.1	-178.5	0	112	E38 V46	E38-K42 PolarHBondContact O-N 2.97Å; E38-K42 VanDerWaalsContact O-N 3.11Å; K42-V46 VanDerWaalsContact O-CG2 3.31Å; K42-V46 WeakPolarHBondContact O-CG2 3.27Å; K42-V46 PolarHBondContact O-N 2.74Å
43	R	35.1	Very low	41.8	Very low	158 Å²	158	110.6 Å²	110.6	60%	0.596	56%	0.555	S	S	*	*	H	α-helix	trans	-65.3	-56.6	171.6	-80.5	-168.9	175.7	-149.3	-0.3	110.5	I39 L40 S41 F45 V46 H47	I39-R43 WeakPolarHBondContact O-CB 3.3Å; I39-R43 WeakPolarHBondContact O-CG 3.28Å; I39-R43 PolarHBondContact O-N 2.95Å; I39-R43 VanDerWaalsContact O-N 3.09Å; L40-R43 PolarHBondContact O-N 3.49Å; S41-R43 VanDerWaalsContact C-N 3.25Å; S41-R43 PolarHBondContact O-N 2.95Å; R43-F45 PolarHBondContact O-N 3.35Å; R43-V46 CarbonylContact O-C 3.42Å; R43-V46 WeakPolarHBondContact O-CA 3.44Å; R43-V46 PolarHBondContact O-N 2.8Å; R43-H47 WeakPolarHBondContact CB-CE1 3.49Å; R43-H47 VanDerWaalsContact O-CB 3.27Å; R43-H47 WeakPolarHBondContact O-CB 3.29Å; R43-H47 PolarHBondContact O-N 2.91Å; R43-H47 PolarHBondContact O-ND1 3.48Å
44	L	36	Very low	44.2	Very low	117 Å²	117	105.8 Å²	105.8	61%	0.613	52%	0.524	S	S	*	.	H	α-helix	trans	-50.5	-39.8	-179	-114.2	85.5	0	0	0	113.8	L40 S41 H47 A48	L40-L44 HydrophobicContact CD2-CD1 4.36Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; L40-L44 PolarHBondContact O-N 3.13Å; S41-L44 PolarHBondContact O-N 3.26Å; L44-H47 PolarHBondContact O-N 3.26Å; L44-A48 PolarHBondContact O-N 2.89Å
45	F	33.8	Very low	47	Very low	175 Å²	175	99.8 Å²	99.8	77%	0.768	51%	0.508	S	S	*	.	H	α-helix	trans	-71.5	-28.8	178	-85.5	-74.2	0	0	0	114.3	S41 R43 A49	S41-F45 VanDerWaalsContact O-CD2 3.29Å; S41-F45 WeakPolarHBondContact O-CD2 3.42Å; S41-F45 PolarHBondContact O-N 3.23Å; R43-F45 PolarHBondContact O-N 3.35Å; F45-A49 WeakPolarHBondContact O-CB 3.37Å
46	V	38.6	Very low	49.6	Very low	103 Å²	103	98 Å²	98	62%	0.624	50%	0.495	S	S	*	.	H	α-helix	trans	-81.7	-28.8	172.6	177.5	0	0	0	0	111.1	K42 R43 A49	K42-V46 VanDerWaalsContact O-CG2 3.31Å; K42-V46 WeakPolarHBondContact O-CG2 3.27Å; K42-V46 PolarHBondContact O-N 2.74Å; R43-V46 CarbonylContact O-C 3.42Å; R43-V46 WeakPolarHBondContact O-CA 3.44Å; R43-V46 PolarHBondContact O-N 2.8Å; V46-A49 WeakPolarHBondContact O-CB 3.47Å; V46-A49 PolarHBondContact O-N 3Å
47	H	43.6	Very low	52.2	Low	61 Å²	61	90 Å²	90	28%	0.282	46%	0.461	S	S	.	.	H	α-helix	trans	-68.2	-66.4	-170.4	-81.1	44	0	0	0	110.9	R43 L44 A49 C50 D214	R43-H47 WeakPolarHBondContact CB-CE1 3.49Å; R43-H47 VanDerWaalsContact O-CB 3.27Å; R43-H47 WeakPolarHBondContact O-CB 3.29Å; R43-H47 PolarHBondContact O-N 2.91Å; R43-H47 PolarHBondContact O-ND1 3.48Å; L44-H47 PolarHBondContact O-N 3.26Å; H47-A49 PolarHBondContact O-N 2.77Å; H47-C50 PolarHBondContact O-N 3.06Å; H47-D214 WeakPolarHBondContact CA-OD2 3.47Å; H47-D214 WeakPolarHBondContact CB-OD2 3.42Å; H47-D214 IonicContact CD2-OD2 3.74Å; H47-D214 IonicContact CG-OD2 3.6Å
48	A	43.9	Very low	54.9	Low	64 Å²	64	83.7 Å²	83.7	53%	0.529	44%	0.443	S	S	.	.	H	α-helix	trans	-61.2	-15	174	0	0	0	0	0	114.1	L44 T52	L44-A48 PolarHBondContact O-N 2.89Å; A48-T52 WeakPolarHBondContact O-CB 3.16Å; A48-T52 WeakPolarHBondContact O-CG2 3.43Å; A48-T52 PolarHBondContact O-N 3.36Å; A48-T52 PolarHBondContact O-OG1 3.2Å
49	A	46.9	Very low	57.7	Low	40 Å²	40	78 Å²	78	33%	0.331	42%	0.416	S	S	.	.	H	α-helix	trans	-73.4	-26.8	-176.2	0	0	0	0	0	113.9	F45 V46 H47 T52 R53	F45-A49 WeakPolarHBondContact O-CB 3.37Å; V46-A49 WeakPolarHBondContact O-CB 3.47Å; V46-A49 PolarHBondContact O-N 3Å; H47-A49 PolarHBondContact O-N 2.77Å; A49-T52 VanDerWaalsContact CA-OG1 3.25Å; A49-T52 WeakPolarHBondContact CA-OG1 3.35Å; A49-T52 PolarHBondContact O-OG1 3.34Å; A49-R53 WeakPolarHBondContact O-CA 3.48Å; A49-R53 WeakPolarHBondContact O-CB 3.24Å; A49-R53 PolarHBondContact O-N 3.38Å
50	C	48.3	Very low	60.4	Low	36 Å²	36	73.7 Å²	73.7	24%	0.243	39%	0.394	C	S	.	.	H	α-helix	trans	-75.6	-51.4	-172.5	-147.7	0	0	0	0	112.1	H47 T52 R53 F54 A217	H47-C50 PolarHBondContact O-N 3.06Å; C50-T52 VanDerWaalsContact C-N 3.3Å; C50-T52 PolarHBondContact O-N 3.08Å; C50-R53 PolarHBondContact O-N 3.46Å; C50-F54 WeakPolarHBondContact O-CD2 3.5Å; C50-F54 PolarHBondContact O-N 2.91Å; C50-A217 HydrophobicContact CB-CB 4.2Å
51	A	53	Low	63.3	Low	33 Å²	33	70 Å²	70	27%	0.273	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-36.9	174.6	0	0	0	0	0	111.9	A55 P56	A51-A55 PolarHBondContact O-N 2.88Å; A51-P56 WeakPolarHBondContact O-CD 3.37Å
52	T	58.5	Low	66	Low	108 Å²	108	68.6 Å²	68.6	66%	0.663	37%	0.366	S	S	*	.	H	α-helix	trans	-73.7	-27.5	177	56.6	0	0	0	0	113.4	A48 A49 C50	A48-T52 WeakPolarHBondContact O-CB 3.16Å; A48-T52 WeakPolarHBondContact O-CG2 3.43Å; A48-T52 PolarHBondContact O-N 3.36Å; A48-T52 PolarHBondContact O-OG1 3.2Å; A49-T52 VanDerWaalsContact CA-OG1 3.25Å; A49-T52 WeakPolarHBondContact CA-OG1 3.35Å; A49-T52 PolarHBondContact O-OG1 3.34Å; C50-T52 VanDerWaalsContact C-N 3.3Å; C50-T52 PolarHBondContact O-N 3.08Å
53	R	70.2	Confident	68.8	Low	200 Å²	200	67 Å²	67	76%	0.755	36%	0.361	S	S	*	.	H	α-helix	trans	-74.7	-41	179.8	179.8	176.4	-176.1	-179.3	1.1	113.1	A49 C50	A49-R53 WeakPolarHBondContact O-CA 3.48Å; A49-R53 WeakPolarHBondContact O-CB 3.24Å; A49-R53 PolarHBondContact O-N 3.38Å; C50-R53 PolarHBondContact O-N 3.46Å
54	F	81.6	Confident	71.6	Confident	29 Å²	29	62.8 Å²	62.8	13%	0.127	35%	0.353	C	S	.	.	H	α-helix	trans	-100.6	-15.9	-170.5	-63.7	-66	0	0	0	114.3	C50 I221 T223 S353	C50-F54 WeakPolarHBondContact O-CD2 3.5Å; C50-F54 PolarHBondContact O-N 2.91Å; F54-I221 HydrophobicContact CB-CG2 3.75Å; F54-I221 HydrophobicContact CD2-CG2 3.86Å; F54-I221 HydrophobicContact CG-CG2 3.79Å; F54-T223 WeakPolarHBondContact CE1-O 3.3Å; F54-T223 HydrophobicContact CE2-CG2 4.43Å; F54-T223 HydrophobicContact CZ-CG2 4.14Å; F54-S353 VanDerWaalsContact O-CB 3.29Å; F54-S353 WeakPolarHBondContact O-CB 3.31Å
55	A	91.9	Very high	74.4	Confident	38 Å²	38	57.9 Å²	57.9	31%	0.314	33%	0.327	S	S	.	.			trans	48.7	61.3	-179.3	0	0	0	0	0	112.7	A51 V354 P355	A51-A55 PolarHBondContact O-N 2.88Å; A55-V354 PolarHBondContact O-N 3.05Å; A55-P355 HydrophobicContact CB-CG 4.18Å
56	P	95.8	Very high	77.4	Confident	21 Å²	21	51.8 Å²	51.8	14%	0.136	31%	0.306	C	S	.	.			trans	-66.6	158.7	177.6	31.9	-36.6	0	0	0	111.5	A51 V60 V61 I221	A51-P56 WeakPolarHBondContact O-CD 3.37Å; P56-V60 HydrophobicContact CB-CB 4.43Å; P56-V61 HydrophobicContact CG-CG1 4.29Å; P56-V61 HydrophobicContact CG-CG2 3.93Å; P56-I221 HydrophobicContact CB-CD1 3.53Å; P56-I221 HydrophobicContact CB-CG1 4.35Å; P56-I221 HydrophobicContact CG-CD1 4.22Å
57	Q	97.3	Very high	80.3	Confident	7 Å²	7	49 Å²	49	3%	0.033	29%	0.286	C	S	.	.			trans	-66.1	151.1	174.2	-67.5	-176.6	70.5	0	0	111.5	S59 V60 G113 V114 P352 V354	Q57-S59 PolarHBondContact O-N 3.08Å; Q57-S59 VanDerWaalsContact O-N 3.08Å; Q57-V60 HydrophobicContact CB-CG2 4.19Å; Q57-V60 PolarHBondContact O-N 3.42Å; Q57-G113 VanDerWaalsContact OE1-CA 3.25Å; Q57-V114 PolarHBondContact NE2-O 2.93Å; Q57-P352 WeakPolarHBondContact CG-O 3.29Å; Q57-P352 PolarHBondContact NE2-O 3.04Å; Q57-V354 HydrophobicContact CG-CG2 4.14Å
58	G	94.6	Very high	82.9	Confident	35 Å²	35	46.2 Å²	46.2	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-58.8	-27.4	-166.2	0	0	0	0	0	115.2	S62 Y112	G58-S62 WeakPolarHBondContact O-CB 3.36Å; G58-S62 PolarHBondContact O-OG 3.25Å; G58-Y112 WeakPolarHBondContact CA-O 3.32Å; G58-Y112 PolarHBondContact N-O 2.82Å
59	S	96.9	Very high	85.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-82.9	-20.4	178.5	61.1	0	0	0	0	114.8	Q57 S62 Y112 G113 H158 K160 Q293 Y311	Q57-S59 PolarHBondContact O-N 3.08Å; Q57-S59 VanDerWaalsContact O-N 3.08Å; S59-S62 WeakPolarHBondContact CA-OG 3.47Å; S59-S62 PolarHBondContact O-OG 3.36Å; S59-Y112 PolarHBondContact N-O 2.8Å; S59-Y112 VanDerWaalsContact N-O 3.12Å; S59-G113 VanDerWaalsContact OG-CA 3.3Å; S59-G113 WeakPolarHBondContact OG-CA 3.14Å; S59-G113 PolarHBondContact OG-N 2.79Å; S59-H158 VanDerWaalsContact CB-O 3.29Å; S59-H158 WeakPolarHBondContact CB-O 3.32Å; S59-H158 PolarHBondContact OG-O 2.93Å; S59-K160 PolarHBondContact O-NZ 2.97Å; S59-Q293 PolarHBondContact O-NE2 3.31Å; S59-Q293 VanDerWaalsContact O-NE2 3.07Å; S59-Q293 PolarHBondContact O-OE1 3.23Å; S59-Y311 PolarHBondContact OG-OH 3.4Å
60	V	97.2	Very high	88	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-49	-166.6	178.4	0	0	0	0	112.9	P56 Q57 A220 I221 Q293 Y311 F351	P56-V60 HydrophobicContact CB-CB 4.43Å; Q57-V60 HydrophobicContact CB-CG2 4.19Å; Q57-V60 PolarHBondContact O-N 3.42Å; V60-A220 HydrophobicContact CG1-CB 4Å; V60-I221 HydrophobicContact CG1-CD1 3.76Å; V60-Q293 PolarHBondContact O-NE2 3.46Å; V60-Y311 HydrophobicContact CB-CD1 4.39Å; V60-Y311 HydrophobicContact CB-CE1 4.41Å; V60-Y311 HydrophobicContact CG1-CD1 3.91Å; V60-Y311 HydrophobicContact CG1-CE1 4.4Å; V60-Y311 HydrophobicContact CG1-CG 4.04Å; V60-Y311 HydrophobicContact CG2-CD1 4.23Å; V60-Y311 HydrophobicContact CG2-CE1 3.92Å; V60-F351 HydrophobicContact CG2-CB 4.23Å; V60-F351 HydrophobicContact CG2-CD1 4.28Å; V60-F351 HydrophobicContact CG2-CG 4.49Å
61	V	95	Very high	90.4	Very high	22 Å²	22	39.6 Å²	39.6	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-109.1	-10.9	-175.3	-62	0	0	0	0	113.4	P56 R216 A217 A220 I221	P56-V61 HydrophobicContact CG-CG1 4.29Å; P56-V61 HydrophobicContact CG-CG2 3.93Å; V61-R216 HydrophobicContact CB-CB 4.38Å; V61-R216 WeakPolarHBondContact O-CD 3.46Å; V61-R216 PolarHBondContact O-NE 3.5Å; V61-A217 HydrophobicContact CG1-CB 4.22Å; V61-A220 HydrophobicContact CG1-CB 4.28Å; V61-I221 HydrophobicContact CG1-CD1 4.07Å; V61-I221 HydrophobicContact CG1-CG1 4.2Å
62	S	94	Very high	92.6	Very high	24 Å²	24	39 Å²	39	17%	0.168	21%	0.214	C	C	.	.	S	Bend	trans	-66.1	158.9	178.3	50.7	0	0	0	0	112.5	G58 S59 K160 R216 Q293	G58-S62 WeakPolarHBondContact O-CB 3.36Å; G58-S62 PolarHBondContact O-OG 3.25Å; S59-S62 WeakPolarHBondContact CA-OG 3.47Å; S59-S62 PolarHBondContact O-OG 3.36Å; S62-K160 PolarHBondContact O-NZ 2.92Å; S62-K160 VanDerWaalsContact O-NZ 3.09Å; S62-K160 PolarHBondContact OG-NZ 3.46Å; S62-R216 PolarHBondContact O-NH2 2.88Å; S62-Q293 PolarHBondContact O-NE2 3.23Å; S62-Q293 VanDerWaalsContact O-NE2 3.11Å
63	E	92.5	Very high	94.5	Very high	134 Å²	134	33.9 Å²	33.9	63%	0.626	18%	0.182	S	C	*	.	P	Polyproline II helix	trans	-67.3	169.8	167.4	-62.8	-168.2	161.5	0	0	111.6	K160	E63-K160 WeakPolarHBondContact O-CD 3.45Å; E63-K160 PolarHBondContact O-NZ 3.45Å
64	T	93.4	Very high	95.9	Very high	69 Å²	69	26.1 Å²	26.1	42%	0.423	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-75.3	144.1	173	51	0	0	0	0	110.4	Q293	T64-Q293 HydrophobicContact CG2-CB 4.38Å
65	K	95.9	Very high	96.7	Very high	14 Å²	14	25.6 Å²	25.6	6%	0.061	15%	0.153	C	C	.	.			trans	-99.4	178.7	165.5	-64	-166.8	174	-85	0	110.4	H67 E106 E109 K160 H162 V193 Q295	K65-H67 PolarHBondContact O-N 3.44Å; K65-H67 VanDerWaalsContact O-N 3.12Å; K65-E106 PolarHBondContact NZ-O 3.28Å; K65-E109 WeakPolarHBondContact CE-OE1 3.36Å; K65-E109 IonicContact NZ-OE1 3.64Å; K65-E109 PolarHBondContact NZ-OE1 2.76Å; K65-K160 HydrophobicContact CB-CB 4.11Å; K65-K160 HydrophobicContact CD-CB 4.45Å; K65-K160 HydrophobicContact CG-CB 4.18Å; K65-H162 PolarHBondContact NZ-NE2 2.98Å; K65-V193 WeakPolarHBondContact O-CG2 3.36Å; K65-Q295 PolarHBondContact O-NE2 3.16Å
66	S	97	Very high	97	Very high	47 Å²	47	26.6 Å²	26.6	33%	0.329	15%	0.153	S	C	.	.	S	Bend	trans	-56.7	-30.9	-177.7	-53.4	0	0	0	0	112.8	H162 W192 V193	S66-H162 PolarHBondContact N-ND1 3.05Å; S66-H162 PolarHBondContact OG-ND1 3.29Å; S66-W192 CarbonylContact O-C 3.53Å; S66-W192 VanDerWaalsContact O-CA 3.26Å; S66-W192 WeakPolarHBondContact O-CA 3.4Å; S66-V193 PolarHBondContact O-N 2.98Å
67	H	98.3	Very high	97.1	Very high	46 Å²	46	30.4 Å²	30.4	21%	0.213	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156	177.3	-55.4	-70.1	0	0	0	112.4	K65 K160 C161 H162 L167 G191	K65-H67 PolarHBondContact O-N 3.44Å; K65-H67 VanDerWaalsContact O-N 3.12Å; H67-K160 WeakPolarHBondContact O-CA 3.44Å; H67-C161 WeakPolarHBondContact CA-O 3.44Å; H67-C161 WeakPolarHBondContact CB-O 3.3Å; H67-C161 PolarHBondContact N-O 3.34Å; H67-C161 PolarHBondContact O-N 2.98Å; H67-C161 VanDerWaalsContact O-O 3.1Å; H67-H162 PolarHBondContact CD2-O 3.22Å; H67-H162 VanDerWaalsContact CD2-O 3.25Å; H67-L167 HydrophobicContact CB-CD1 3.65Å; H67-G191 VanDerWaalsContact CA-O 3.25Å; H67-G191 WeakPolarHBondContact CA-O 3.5Å; H67-G191 WeakPolarHBondContact CB-O 3.14Å; H67-G191 PolarHBondContact ND1-O 3.33Å
68	A	98.7	Very high	97.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.7	171.1	0	0	0	0	0	110.9	Y70 A159 K160 Y190 G191	A68-Y70 HydrophobicContact CB-CD2 4.44Å; A68-Y70 HydrophobicContact CB-CE1 4.14Å; A68-Y70 HydrophobicContact CB-CE2 3.74Å; A68-A159 CarbonylContact C-O 3.55Å; A68-A159 WeakPolarHBondContact CA-O 3.31Å; A68-K160 HydrophobicContact CB-CG 4.5Å; A68-Y190 CarbonylContact O-C 3.53Å; A68-Y190 VanDerWaalsContact O-CA 3.28Å; A68-Y190 WeakPolarHBondContact O-CA 3.38Å; A68-G191 PolarHBondContact N-O 2.79Å; A68-G191 PolarHBondContact O-N 3.37Å
69	L	98.8	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.7	167.7	168.4	65.8	0	0	0	108	L71 H158 A159 L167 T171 D188 Y190	L69-L71 HydrophobicContact CD1-CB 4.05Å; L69-L71 HydrophobicContact CD2-CB 4.27Å; L69-L71 HydrophobicContact CG-CB 4.07Å; L69-H158 VanDerWaalsContact O-CA 3.3Å; L69-H158 WeakPolarHBondContact O-CA 3.18Å; L69-A159 HydrophobicContact CB-CB 4.23Å; L69-A159 HydrophobicContact CD2-CB 4.49Å; L69-A159 PolarHBondContact N-O 2.93Å; L69-A159 PolarHBondContact O-N 3.33Å; L69-L167 HydrophobicContact CB-CB 4.15Å; L69-L167 HydrophobicContact CB-CD1 4.38Å; L69-L167 HydrophobicContact CB-CD2 4.09Å; L69-L167 HydrophobicContact CB-CG 4.44Å; L69-T171 VanDerWaalsContact CD1-OG1 3.28Å; L69-T171 WeakPolarHBondContact CD1-OG1 3.27Å; L69-T171 VanDerWaalsContact CD2-OG1 3.22Å; L69-T171 WeakPolarHBondContact CD2-OG1 3.09Å; L69-D188 HydrophobicContact CD1-CB 4.13Å; L69-Y190 HydrophobicContact CD1-CD1 4.1Å; L69-Y190 HydrophobicContact CD1-CE1 3.65Å
70	Y	98.9	Very high	97.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	95.2	172.6	-48.4	-83.9	0	0	0	108	A68 F156 I157 H158 I189 Q293 Q295 L307 I309	A68-Y70 HydrophobicContact CB-CD2 4.44Å; A68-Y70 HydrophobicContact CB-CE1 4.14Å; A68-Y70 HydrophobicContact CB-CE2 3.74Å; Y70-F156 HydrophobicContact CD1-CZ 4.07Å; Y70-F156 HydrophobicContact CG-CZ 4.49Å; Y70-I157 WeakPolarHBondContact CA-O 3.39Å; Y70-H158 AromaticContact CD1-CD2 3.64Å; Y70-H158 AromaticContact CE1-CD2 3.48Å; Y70-H158 VanDerWaalsContact CE1-CD2 3.48Å; Y70-H158 WeakPolarHBondContact CE1-CD2 3.29Å; Y70-H158 AromaticContact CE1-NE2 3.51Å; Y70-I189 HydrophobicContact CD2-CG2 4.24Å; Y70-I189 WeakPolarHBondContact CD2-O 3.36Å; Y70-I189 PolarHBondContact N-O 3.44Å; Y70-I189 PolarHBondContact O-N 3.43Å; Y70-Q293 PolarHBondContact OH-O 2.93Å; Y70-Q295 WeakPolarHBondContact OH-CB 3.36Å; Y70-Q295 PolarHBondContact OH-N 2.79Å; Y70-L307 HydrophobicContact CD1-CD2 3.36Å; Y70-L307 HydrophobicContact CD2-CB 4.21Å; Y70-L307 HydrophobicContact CD2-CD2 3.21Å; Y70-L307 HydrophobicContact CD2-CG 4.32Å; Y70-L307 HydrophobicContact CE1-CD2 3.9Å; Y70-L307 HydrophobicContact CE2-CB 4.12Å; Y70-L307 HydrophobicContact CE2-CD2 3.77Å; Y70-L307 HydrophobicContact CG-CD2 2.94Å; Y70-L307 HydrophobicContact CG-CG 4.33Å; Y70-I309 HydrophobicContact CE1-CB 4.47Å; Y70-I309 HydrophobicContact CE1-CG2 3.74Å
71	L	98.9	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.4	-174.3	172.2	58.4	0	0	0	109.3	L69 I73 F156 I157 T171 I174 I175 F186 E187 D188	L69-L71 HydrophobicContact CD1-CB 4.05Å; L69-L71 HydrophobicContact CD2-CB 4.27Å; L69-L71 HydrophobicContact CG-CB 4.07Å; L71-I73 HydrophobicContact CD1-CG1 4.09Å; L71-I73 HydrophobicContact CD2-CD1 4.08Å; L71-I73 HydrophobicContact CD2-CG1 4.4Å; L71-I73 HydrophobicContact CG-CD1 4.1Å; L71-I73 HydrophobicContact CG-CG1 3.89Å; L71-F156 CarbonylContact O-C 3.48Å; L71-F156 VanDerWaalsContact O-CA 3.26Å; L71-F156 WeakPolarHBondContact O-CA 3.42Å; L71-F156 WeakPolarHBondContact O-CD2 3.39Å; L71-I157 HydrophobicContact CB-CB 4.17Å; L71-I157 HydrophobicContact CD2-CD1 4.06Å; L71-I157 HydrophobicContact CG-CD1 4.24Å; L71-I157 PolarHBondContact N-O 2.82Å; L71-I157 PolarHBondContact O-N 2.62Å; L71-T171 HydrophobicContact CD1-CG2 4.38Å; L71-T171 HydrophobicContact CD2-CG2 4.21Å; L71-I174 HydrophobicContact CD2-CB 4.4Å; L71-I174 HydrophobicContact CD2-CD1 4.24Å; L71-I174 HydrophobicContact CD2-CG2 4.09Å; L71-I175 HydrophobicContact CD1-CD1 4.34Å; L71-I175 HydrophobicContact CD2-CD1 4.37Å; L71-F186 HydrophobicContact CD1-CB 4.1Å; L71-F186 HydrophobicContact CD1-CD2 3.74Å; L71-F186 HydrophobicContact CD1-CG 4.3Å; L71-E187 WeakPolarHBondContact CA-O 3.36Å; L71-D188 HydrophobicContact CD1-CB 4.11Å
72	T	98.9	Very high	97.4	Very high	20 Å²	20	43.9 Å²	43.9	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.1	173.7	-54	0	0	0	0	109.2	F156 F186 E187 W349	T72-F156 WeakPolarHBondContact OG1-CD2 3.47Å; T72-F186 CarbonylContact O-C 3.54Å; T72-F186 WeakPolarHBondContact O-CA 3.27Å; T72-F186 WeakPolarHBondContact O-CB 3.41Å; T72-E187 PolarHBondContact N-O 2.82Å; T72-E187 PolarHBondContact O-N 3.05Å; T72-W349 HydrophobicContact CG2-CH2 3.92Å; T72-W349 HydrophobicContact CG2-CZ2 4Å
73	I	98.9	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.2	-178.6	-55.2	175.5	0	0	0	108.9	L71 L75 D154 I155 I157 I174 I175 L178 V183 F186	L71-I73 HydrophobicContact CD1-CG1 4.09Å; L71-I73 HydrophobicContact CD2-CD1 4.08Å; L71-I73 HydrophobicContact CD2-CG1 4.4Å; L71-I73 HydrophobicContact CG-CD1 4.1Å; L71-I73 HydrophobicContact CG-CG1 3.89Å; I73-L75 HydrophobicContact CG2-CD2 3.98Å; I73-D154 PolarHBondContact O-N 2.94Å; I73-I155 HydrophobicContact CB-CB 4.28Å; I73-I155 HydrophobicContact CD1-CG2 4.48Å; I73-I155 PolarHBondContact N-O 2.77Å; I73-I155 PolarHBondContact O-N 2.65Å; I73-I157 HydrophobicContact CD1-CD1 3.82Å; I73-I174 HydrophobicContact CD1-CG2 3.95Å; I73-I175 HydrophobicContact CD1-CD1 3.88Å; I73-I175 HydrophobicContact CG1-CD1 4.13Å; I73-L178 HydrophobicContact CD1-CD1 3.97Å; I73-L178 HydrophobicContact CG2-CD1 4.14Å; I73-V183 HydrophobicContact CG2-CG1 4.17Å; I73-V183 HydrophobicContact CG2-CG2 4.06Å; I73-F186 HydrophobicContact CG1-CB 4.23Å
74	H	98.8	Very high	97.9	Very high	37 Å²	37	41.6 Å²	41.6	17%	0.171	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.6	170.1	-63.8	-100.6	0	0	0	108.9	G153 D154 T184 K185	H74-G153 VanDerWaalsContact CE1-CA 3.47Å; H74-G153 WeakPolarHBondContact CE1-CA 3.49Å; H74-D154 WeakPolarHBondContact CA-OD2 3.47Å; H74-T184 PolarHBondContact O-N 2.9Å; H74-K185 HydrophobicContact CB-CG 3.75Å; H74-K185 WeakPolarHBondContact CB-O 3.32Å; H74-K185 WeakPolarHBondContact CD2-CE 3.19Å; H74-K185 PolarHBondContact N-O 3.45Å; H74-K185 WeakPolarHBondContact NE2-CE 3.44Å; H74-K185 PolarHBondContact O-N 2.86Å
75	L	98.8	Very high	98.1	Very high	18 Å²	18	38.7 Å²	38.7	9%	0.094	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	152.4	-179.7	-61	178	0	0	0	111.1	I73 C84 F120 D154 I155 S182 V183 T184	I73-L75 HydrophobicContact CG2-CD2 3.98Å; L75-C84 HydrophobicContact CD1-CB 3.82Å; L75-C84 HydrophobicContact CD2-CB 4.38Å; L75-F120 HydrophobicContact CD1-CD2 3.78Å; L75-F120 HydrophobicContact CD1-CE2 3.43Å; L75-F120 VanDerWaalsContact CD1-CE2 3.43Å; L75-F120 HydrophobicContact CD1-CZ 4.41Å; L75-D154 HydrophobicContact CB-CB 4.44Å; L75-D154 HydrophobicContact CD1-CB 4.08Å; L75-D154 HydrophobicContact CG-CB 3.95Å; L75-D154 PolarHBondContact N-OD2 3.26Å; L75-I155 HydrophobicContact CD1-CD1 3.95Å; L75-I155 HydrophobicContact CD2-CD1 4.34Å; L75-I155 HydrophobicContact CG-CD1 4.36Å; L75-S182 CarbonylContact C-O 3.44Å; L75-S182 WeakPolarHBondContact CA-O 3.37Å; L75-S182 WeakPolarHBondContact CB-O 3.38Å; L75-S182 WeakPolarHBondContact CD2-O 3.02Å; L75-V183 HydrophobicContact CD2-CG2 4.32Å; L75-T184 PolarHBondContact O-OG1 3.49Å
76	D	98.5	Very high	98.2	Very high	60 Å²	60	43.8 Å²	43.8	32%	0.321	23%	0.23	S	C	.	.			trans	-62	134.1	167.1	-169.6	-77.3	0	0	0	109.4	Q78 A79 S182 T184	D76-Q78 PolarHBondContact O-N 3.02Å; D76-Q78 VanDerWaalsContact O-N 3.07Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.33Å; D76-Q78 VanDerWaalsContact OD1-CB 3.29Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.48Å; D76-Q78 PolarHBondContact OD1-N 3.28Å; D76-A79 HydrophobicContact CB-CB 4.22Å; D76-A79 WeakPolarHBondContact O-CB 3.36Å; D76-A79 PolarHBondContact O-N 3.35Å; D76-S182 PolarHBondContact N-O 3.28Å; D76-T184 WeakPolarHBondContact CA-OG1 3.41Å; D76-T184 PolarHBondContact N-OG1 3.09Å
77	P	97.3	Very high	98.2	Very high	101 Å²	101	42.7 Å²	42.7	66%	0.656	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.3	179	-27	35.4	0	0	0	114.6
78	Q	97.4	Very high	98.2	Very high	171 Å²	171	40.6 Å²	40.6	80%	0.799	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.9	176	-54.6	-56.7	-46.5	0	0	113.3	D76	D76-Q78 PolarHBondContact O-N 3.02Å; D76-Q78 VanDerWaalsContact O-N 3.07Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.33Å; D76-Q78 VanDerWaalsContact OD1-CB 3.29Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.48Å; D76-Q78 PolarHBondContact OD1-N 3.28Å
79	A	98	Very high	98.2	Very high	19 Å²	19	41.4 Å²	41.4	16%	0.157	22%	0.221	C	C	.	.	S	Bend	trans	-64.3	142.6	175.7	0	0	0	0	0	110.9	D76 P81	D76-A79 HydrophobicContact CB-CB 4.22Å; D76-A79 WeakPolarHBondContact O-CB 3.36Å; D76-A79 PolarHBondContact O-N 3.35Å; A79-P81 WeakPolarHBondContact O-CD 3.33Å
80	S	97.9	Very high	98.1	Very high	40 Å²	40	45.4 Å²	45.4	28%	0.28	24%	0.24	S	C	.	.			trans	-69.9	115.6	172.8	175.8	0	0	0	0	110.6	Q82 E83 C84	S80-Q82 PolarHBondContact O-N 3.21Å; S80-E83 PolarHBondContact O-N 3.19Å; S80-E83 PolarHBondContact OG-N 3.44Å; S80-C84 PolarHBondContact O-N 3.33Å; S80-C84 VanDerWaalsContact O-N 3.08Å; S80-C84 PolarHBondContact O-SG 3.38Å; S80-C84 VanDerWaalsContact O-SG 3.36Å
81	P	97.7	Very high	98.1	Very high	24 Å²	24	45.4 Å²	45.4	16%	0.156	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-33.1	177.1	-23.9	36.1	0	0	0	112.3	A79 L85 F120 K123 I124	A79-P81 WeakPolarHBondContact O-CD 3.33Å; P81-L85 VanDerWaalsContact O-CB 3.24Å; P81-L85 WeakPolarHBondContact O-CB 3.44Å; P81-L85 PolarHBondContact O-N 2.81Å; P81-F120 HydrophobicContact CB-CD2 4.43Å; P81-F120 HydrophobicContact CB-CE2 3.89Å; P81-K123 HydrophobicContact CB-CB 4.1Å; P81-K123 HydrophobicContact CG-CB 3.97Å; P81-K123 HydrophobicContact CG-CD 3.84Å; P81-K123 HydrophobicContact CG-CG 4.42Å; P81-I124 HydrophobicContact CB-CG2 3.75Å
82	Q	96.9	Very high	98	Very high	95 Å²	95	50.6 Å²	50.6	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-71.8	-39.3	180	-68	75.2	15.5	0	0	112.2	S80 L85 K86	S80-Q82 PolarHBondContact O-N 3.21Å; Q82-L85 PolarHBondContact O-N 3.35Å; Q82-K86 WeakPolarHBondContact O-CB 3.49Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.44Å; Q82-K86 PolarHBondContact O-N 2.96Å
83	E	97.5	Very high	97.9	Very high	110 Å²	110	56.2 Å²	56.2	51%	0.514	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-43	175.1	-66.4	-176.1	150.7	0	0	111.1	S80 L85 K86 S87 P179	S80-E83 PolarHBondContact O-N 3.19Å; S80-E83 PolarHBondContact OG-N 3.44Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 3.28Å; E83-K86 PolarHBondContact O-N 2.81Å; E83-S87 PolarHBondContact O-N 3.04Å; E83-P179 HydrophobicContact CB-CG 3.81Å
84	C	98.6	Very high	97.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-45.6	173	-65.2	0	0	0	0	111.4	L75 S80 K86 S87 I88 L178	L75-C84 HydrophobicContact CD1-CB 3.82Å; L75-C84 HydrophobicContact CD2-CB 4.38Å; S80-C84 PolarHBondContact O-N 3.33Å; S80-C84 VanDerWaalsContact O-N 3.08Å; S80-C84 PolarHBondContact O-SG 3.38Å; S80-C84 VanDerWaalsContact O-SG 3.36Å; C84-K86 PolarHBondContact O-N 3.27Å; C84-S87 PolarHBondContact O-N 2.96Å; C84-I88 WeakPolarHBondContact O-CG1 3.33Å; C84-I88 PolarHBondContact O-N 2.87Å; C84-L178 HydrophobicContact CB-CD2 4.14Å
85	L	98.5	Very high	97.9	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-41.3	176.6	-179.9	63.5	0	0	0	112.2	P81 Q82 E83 I88 G89 F116 F120 I124 L360 V361	P81-L85 VanDerWaalsContact O-CB 3.24Å; P81-L85 WeakPolarHBondContact O-CB 3.44Å; P81-L85 PolarHBondContact O-N 2.81Å; Q82-L85 PolarHBondContact O-N 3.35Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 3.28Å; L85-I88 PolarHBondContact O-N 2.84Å; L85-G89 PolarHBondContact O-N 3.23Å; L85-F116 HydrophobicContact CD1-CE1 3.96Å; L85-F116 HydrophobicContact CD1-CE2 4.4Å; L85-F116 HydrophobicContact CD1-CZ 3.51Å; L85-F120 HydrophobicContact CB-CZ 4.29Å; L85-I124 HydrophobicContact CB-CG2 4.44Å; L85-I124 HydrophobicContact CD1-CD1 3.96Å; L85-I124 HydrophobicContact CD2-CB 3.99Å; L85-I124 HydrophobicContact CD2-CD1 3.76Å; L85-I124 HydrophobicContact CD2-CG1 4.46Å; L85-I124 HydrophobicContact CD2-CG2 4.09Å; L85-I124 HydrophobicContact CG-CD1 4.44Å; L85-L360 HydrophobicContact CD2-CB 4.29Å; L85-L360 VanDerWaalsContact CD2-O 3.3Å; L85-L360 WeakPolarHBondContact CD2-O 3.38Å; L85-V361 HydrophobicContact CD1-CG2 4.09Å; L85-V361 HydrophobicContact CG-CG2 4.25Å
86	K	97.6	Very high	97.8	Very high	121 Å²	121	56.5 Å²	56.5	53%	0.526	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-44	176	-77	172.3	-176.7	176.6	0	111.8	Q82 E83 C84 G89 Q90	Q82-K86 WeakPolarHBondContact O-CB 3.49Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.44Å; Q82-K86 PolarHBondContact O-N 2.96Å; E83-K86 PolarHBondContact O-N 2.81Å; C84-K86 PolarHBondContact O-N 3.27Å; K86-G89 PolarHBondContact O-N 3.23Å; K86-Q90 PolarHBondContact O-N 3.26Å
87	S	98	Very high	97.7	Very high	24 Å²	24	57.4 Å²	57.4	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-48.4	175.2	-74.4	0	0	0	0	111.5	E83 C84 G89 Q90 Y94 N177	E83-S87 PolarHBondContact O-N 3.04Å; C84-S87 PolarHBondContact O-N 2.96Å; S87-G89 VanDerWaalsContact C-N 3.26Å; S87-G89 PolarHBondContact O-N 3.07Å; S87-Q90 WeakPolarHBondContact O-CB 3.29Å; S87-Q90 PolarHBondContact O-N 3.21Å; S87-Y94 PolarHBondContact O-OH 3.27Å; S87-N177 VanDerWaalsContact CB-O 3.27Å; S87-N177 WeakPolarHBondContact CB-O 3.35Å; S87-N177 PolarHBondContact OG-O 3.37Å
88	I	98.3	Very high	97.7	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-32.7	176.1	-65.7	-50.7	0	0	0	112.1	C84 L85 Q90 I91 V114 I155 I174 L178 F357	C84-I88 WeakPolarHBondContact O-CG1 3.33Å; C84-I88 PolarHBondContact O-N 2.87Å; L85-I88 PolarHBondContact O-N 2.84Å; I88-Q90 PolarHBondContact O-N 2.58Å; I88-Q90 VanDerWaalsContact O-N 3.09Å; I88-I91 VanDerWaalsContact O-CB 3.26Å; I88-I91 WeakPolarHBondContact O-CB 3.25Å; I88-I91 VanDerWaalsContact O-CG2 3.28Å; I88-I91 WeakPolarHBondContact O-CG2 3.42Å; I88-I91 PolarHBondContact O-N 3.4Å; I88-V114 HydrophobicContact CG2-CB 4.46Å; I88-V114 HydrophobicContact CG2-CG1 3.59Å; I88-V114 HydrophobicContact CG2-CG2 4.09Å; I88-I155 HydrophobicContact CG1-CD1 3.9Å; I88-I155 HydrophobicContact CG1-CG2 4.28Å; I88-I155 HydrophobicContact CG2-CG2 4.43Å; I88-I174 HydrophobicContact CD1-CG2 3.67Å; I88-L178 HydrophobicContact CD1-CD1 4.39Å; I88-L178 HydrophobicContact CD1-CD2 3.84Å; I88-L178 HydrophobicContact CD1-CG 4.22Å; I88-L178 HydrophobicContact CG1-CD2 3.98Å; I88-F357 HydrophobicContact CG2-CE2 4.47Å; I88-F357 HydrophobicContact CG2-CZ 4.24Å
89	G	97.6	Very high	97.5	Very high	17 Å²	17	46 Å²	46	18%	0.175	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.6	172.6	0	0	0	0	0	114.3	L85 K86 S87 I91	L85-G89 PolarHBondContact O-N 3.23Å; K86-G89 PolarHBondContact O-N 3.23Å; S87-G89 VanDerWaalsContact C-N 3.26Å; S87-G89 PolarHBondContact O-N 3.07Å; G89-I91 VanDerWaalsContact C-N 3.29Å
90	Q	97.4	Very high	97.3	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.393	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.5	173.6	-55.3	-55.1	-64	0	0	113.4	K86 S87 I88 K92 K93 Y94	K86-Q90 PolarHBondContact O-N 3.26Å; S87-Q90 WeakPolarHBondContact O-CB 3.29Å; S87-Q90 PolarHBondContact O-N 3.21Å; I88-Q90 PolarHBondContact O-N 2.58Å; I88-Q90 VanDerWaalsContact O-N 3.09Å; Q90-K92 PolarHBondContact O-N 3.29Å; Q90-K92 VanDerWaalsContact O-N 3.07Å; Q90-K93 WeakPolarHBondContact O-CA 3.47Å; Q90-K93 VanDerWaalsContact O-CB 3.24Å; Q90-K93 WeakPolarHBondContact O-CB 3.46Å; Q90-K93 PolarHBondContact O-N 2.81Å; Q90-Y94 HydrophobicContact CB-CE1 4.09Å; Q90-Y94 HydrophobicContact CB-CE2 4.03Å; Q90-Y94 WeakPolarHBondContact CB-OH 3.25Å; Q90-Y94 PolarHBondContact O-N 3.25Å
91	I	98.3	Very high	96.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-52.8	-35.9	-176.9	-171	166.2	0	0	0	113.5	I88 G89 K93 Y94 V95 Y112 V114 I157 L170 I174	I88-I91 VanDerWaalsContact O-CB 3.26Å; I88-I91 WeakPolarHBondContact O-CB 3.25Å; I88-I91 VanDerWaalsContact O-CG2 3.28Å; I88-I91 WeakPolarHBondContact O-CG2 3.42Å; I88-I91 PolarHBondContact O-N 3.4Å; G89-I91 VanDerWaalsContact C-N 3.29Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.07Å; I91-Y94 WeakPolarHBondContact O-CB 3.42Å; I91-Y94 PolarHBondContact O-N 3.28Å; I91-Y94 VanDerWaalsContact O-N 3.13Å; I91-V95 HydrophobicContact CG1-CG2 4.44Å; I91-V95 WeakPolarHBondContact O-CG2 3.37Å; I91-V95 PolarHBondContact O-N 3.44Å; I91-Y112 HydrophobicContact CB-CE2 4.33Å; I91-Y112 HydrophobicContact CD1-CD2 3.65Å; I91-Y112 HydrophobicContact CD1-CE2 3.98Å; I91-Y112 HydrophobicContact CD1-CG 4.27Å; I91-Y112 HydrophobicContact CG1-CD2 4.1Å; I91-Y112 HydrophobicContact CG1-CE2 3.99Å; I91-Y112 HydrophobicContact CG2-CD2 4.24Å; I91-Y112 HydrophobicContact CG2-CE2 3.44Å; I91-Y112 VanDerWaalsContact CG2-CE2 3.44Å; I91-V114 HydrophobicContact CD1-CG2 3.88Å; I91-V114 HydrophobicContact CG2-CG2 4.2Å; I91-I157 HydrophobicContact CD1-CG1 4.32Å; I91-I157 HydrophobicContact CD1-CG2 4.19Å; I91-L170 HydrophobicContact CG1-CD1 4.23Å; I91-I174 HydrophobicContact CD1-CD1 3.88Å; I91-I174 HydrophobicContact CD1-CG1 4.49Å; I91-I174 HydrophobicContact CG1-CD1 4.38Å
92	K	97	Very high	96.6	Very high	110 Å²	110	54.2 Å²	54.2	48%	0.478	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-42.7	174.6	-167.3	-165.3	-177.9	-49.7	0	111.8	Q90 Y94 V95 D96 Y112	Q90-K92 PolarHBondContact O-N 3.29Å; Q90-K92 VanDerWaalsContact O-N 3.07Å; K92-Y94 VanDerWaalsContact C-N 3.29Å; K92-Y94 PolarHBondContact O-N 3.5Å; K92-V95 PolarHBondContact O-N 2.94Å; K92-D96 VanDerWaalsContact NZ-CG 3.29Å; K92-D96 IonicContact NZ-OD1 2.65Å; K92-D96 PolarHBondContact NZ-OD1 2.86Å; K92-D96 IonicContact NZ-OD2 3.21Å; K92-D96 PolarHBondContact NZ-OD2 2.62Å; K92-D96 WeakPolarHBondContact O-CB 3.15Å; K92-D96 PolarHBondContact O-N 2.59Å; K92-Y112 WeakPolarHBondContact CA-OH 3.08Å; K92-Y112 WeakPolarHBondContact CB-OH 3.32Å
93	K	97.7	Very high	96.1	Very high	137 Å²	137	55.7 Å²	55.7	60%	0.596	30%	0.295	S	S	*	.	H	α-helix	trans	-61.7	-39	176.4	177.6	-172.6	173.2	-174.5	0	111.1	Q90 I91 A97	Q90-K93 WeakPolarHBondContact O-CA 3.47Å; Q90-K93 VanDerWaalsContact O-CB 3.24Å; Q90-K93 WeakPolarHBondContact O-CB 3.46Å; Q90-K93 PolarHBondContact O-N 2.81Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.07Å; K93-A97 WeakPolarHBondContact O-CB 3.24Å; K93-A97 PolarHBondContact O-N 2.78Å
94	Y	98.2	Very high	95.7	Very high	20 Å²	20	54.6 Å²	54.6	8%	0.078	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-45.6	177.2	-51.6	-33.8	0	0	0	111.4	S87 Q90 I91 K92 D96 A97 I98 A173 I174 N177	S87-Y94 PolarHBondContact O-OH 3.27Å; Q90-Y94 HydrophobicContact CB-CE1 4.09Å; Q90-Y94 HydrophobicContact CB-CE2 4.03Å; Q90-Y94 WeakPolarHBondContact CB-OH 3.25Å; Q90-Y94 PolarHBondContact O-N 3.25Å; I91-Y94 WeakPolarHBondContact O-CB 3.42Å; I91-Y94 PolarHBondContact O-N 3.28Å; I91-Y94 VanDerWaalsContact O-N 3.13Å; K92-Y94 VanDerWaalsContact C-N 3.29Å; K92-Y94 PolarHBondContact O-N 3.5Å; Y94-D96 PolarHBondContact O-N 2.97Å; Y94-A97 PolarHBondContact O-N 3.3Å; Y94-I98 WeakPolarHBondContact O-CD1 3.49Å; Y94-I98 WeakPolarHBondContact O-CG1 2.97Å; Y94-I98 PolarHBondContact O-N 3.33Å; Y94-I98 VanDerWaalsContact O-N 3.12Å; Y94-A173 HydrophobicContact CD1-CB 4.3Å; Y94-A173 HydrophobicContact CD2-CB 4.38Å; Y94-A173 HydrophobicContact CG-CB 3.92Å; Y94-I174 HydrophobicContact CD2-CG1 4.17Å; Y94-N177 HydrophobicContact CE1-CB 4.15Å; Y94-N177 HydrophobicContact CE2-CB 4.34Å; Y94-N177 WeakPolarHBondContact OH-CB 3.41Å
95	V	97.8	Very high	95.2	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-44.2	176.2	169.2	0	0	0	0	111.6	I91 K92 A97 I98 C99 I110 Y112 L170	I91-V95 HydrophobicContact CG1-CG2 4.44Å; I91-V95 WeakPolarHBondContact O-CG2 3.37Å; I91-V95 PolarHBondContact O-N 3.44Å; K92-V95 PolarHBondContact O-N 2.94Å; V95-A97 VanDerWaalsContact C-N 3.27Å; V95-A97 PolarHBondContact O-N 3.32Å; V95-I98 PolarHBondContact O-N 3.43Å; V95-C99 PolarHBondContact O-N 3.43Å; V95-I110 HydrophobicContact CG1-CB 4.04Å; V95-I110 HydrophobicContact CG1-CD1 4.32Å; V95-I110 HydrophobicContact CG2-CB 4.48Å; V95-I110 HydrophobicContact CG2-CD1 4.45Å; V95-I110 HydrophobicContact CG2-CG2 4.38Å; V95-Y112 HydrophobicContact CB-CE1 4.21Å; V95-Y112 HydrophobicContact CG1-CE1 4.29Å; V95-Y112 HydrophobicContact CG2-CD1 3.75Å; V95-Y112 HydrophobicContact CG2-CE1 3.76Å; V95-L170 HydrophobicContact CG2-CD1 3.79Å; V95-L170 HydrophobicContact CG2-CD2 4.15Å
96	D	97	Very high	94.6	Very high	39 Å²	39	62.8 Å²	62.8	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-67.6	-26.8	177.9	-66.8	-17.9	0	0	0	112.4	K92 Y94 C99 P100 P101 R104	K92-D96 VanDerWaalsContact NZ-CG 3.29Å; K92-D96 IonicContact NZ-OD1 2.65Å; K92-D96 PolarHBondContact NZ-OD1 2.86Å; K92-D96 IonicContact NZ-OD2 3.21Å; K92-D96 PolarHBondContact NZ-OD2 2.62Å; K92-D96 WeakPolarHBondContact O-CB 3.15Å; K92-D96 PolarHBondContact O-N 2.59Å; Y94-D96 PolarHBondContact O-N 2.97Å; D96-C99 CarbonylContact O-C 3.6Å; D96-P100 WeakPolarHBondContact O-CA 3.35Å; D96-P101 HydrophobicContact CB-CG 4.42Å; D96-R104 IonicContact OD1-CZ 2.68Å; D96-R104 IonicContact OD1-NH2 3.88Å; D96-R104 PolarHBondContact OD1-NH2 3.41Å
97	A	97	Very high	93.9	Very high	80 Å²	80	63.2 Å²	63.2	66%	0.661	34%	0.338	S	S	*	.	H	α-helix	trans	-73.7	-34.5	174.4	0	0	0	0	0	112.6	K93 Y94 V95	K93-A97 WeakPolarHBondContact O-CB 3.24Å; K93-A97 PolarHBondContact O-N 2.78Å; Y94-A97 PolarHBondContact O-N 3.3Å; V95-A97 VanDerWaalsContact C-N 3.27Å; V95-A97 PolarHBondContact O-N 3.32Å
98	I	96.7	Very high	93.3	Very high	30 Å²	30	63.5 Å²	63.5	15%	0.154	34%	0.338	C	S	.	.	H	α-helix	trans	-79.9	-40.2	178.3	-65.8	161	0	0	0	111.1	Y94 V95 I110 K166 E169 L170	Y94-I98 WeakPolarHBondContact O-CD1 3.49Å; Y94-I98 WeakPolarHBondContact O-CG1 2.97Å; Y94-I98 PolarHBondContact O-N 3.33Å; Y94-I98 VanDerWaalsContact O-N 3.12Å; V95-I98 PolarHBondContact O-N 3.43Å; I98-I110 HydrophobicContact CB-CD1 4.3Å; I98-I110 HydrophobicContact CG2-CD1 3.9Å; I98-K166 HydrophobicContact CG2-CB 3.89Å; I98-K166 HydrophobicContact CG2-CD 4.14Å; I98-K166 HydrophobicContact CG2-CG 3.83Å; I98-E169 HydrophobicContact CD1-CB 3.85Å; I98-E169 HydrophobicContact CG1-CB 4.06Å; I98-E169 HydrophobicContact CG2-CB 4.47Å; I98-L170 HydrophobicContact CD1-CB 3.92Å; I98-L170 HydrophobicContact CD1-CD1 4.39Å
99	C	93.7	Very high	93.2	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.007	35%	0.348	C	S	.	.	S	Bend	trans	-133.5	84.7	-178.8	179.9	0	0	0	0	109	V95 D96 R104 D108	V95-C99 PolarHBondContact O-N 3.43Å; D96-C99 CarbonylContact O-C 3.6Å; C99-R104 PolarHBondContact O-NE 3.26Å; C99-R104 PolarHBondContact O-NH2 3.41Å; C99-R104 VanDerWaalsContact SG-CG 3.55Å; C99-D108 PolarHBondContact SG-O 3.43Å; C99-D108 PolarHBondContact SG-OD2 2.88Å; C99-D108 VanDerWaalsContact SG-OD2 3.37Å
100	P	93.6	Very high	93.2	Very high	43 Å²	43	65.1 Å²	65.1	28%	0.279	34%	0.341	S	S	.	.			trans	-53.1	133.7	179.1	-28.8	36.9	0	0	0	112.1	D96 D102 L103 R104	D96-P100 WeakPolarHBondContact O-CA 3.35Å; P100-D102 VanDerWaalsContact CB-OD1 3.24Å; P100-D102 WeakPolarHBondContact CB-OD1 3.48Å; P100-D102 PolarHBondContact O-N 3.48Å; P100-D102 VanDerWaalsContact O-N 3.11Å; P100-L103 HydrophobicContact CB-CB 4.47Å; P100-L103 HydrophobicContact CB-CD1 4.4Å; P100-L103 HydrophobicContact CB-CG 4.4Å; P100-L103 HydrophobicContact CG-CD1 4.36Å; P100-L103 PolarHBondContact O-N 3.2Å; P100-R104 PolarHBondContact O-N 2.86Å
101	P	90.2	Very high	93.2	Very high	78 Å²	78	63 Å²	63	51%	0.506	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.6	-175.7	-27.9	34.9	0	0	0	115.3	D96 L103	D96-P101 HydrophobicContact CB-CG 4.42Å; P101-L103 VanDerWaalsContact C-N 3.33Å
102	D	90.8	Very high	93.2	Very high	136 Å²	136	65.1 Å²	65.1	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.9	178.1	58.5	-54.1	0	0	0	113.6	P100	P100-D102 VanDerWaalsContact CB-OD1 3.24Å; P100-D102 WeakPolarHBondContact CB-OD1 3.48Å; P100-D102 PolarHBondContact O-N 3.48Å; P100-D102 VanDerWaalsContact O-N 3.11Å
103	L	87.3	Confident	93.3	Very high	125 Å²	125	59.9 Å²	59.9	65%	0.654	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-8.1	177.2	-57.8	-179.2	0	0	0	113	P100 P101	P100-L103 HydrophobicContact CB-CB 4.47Å; P100-L103 HydrophobicContact CB-CD1 4.4Å; P100-L103 HydrophobicContact CB-CG 4.4Å; P100-L103 HydrophobicContact CG-CD1 4.36Å; P100-L103 PolarHBondContact O-N 3.2Å; P101-L103 VanDerWaalsContact C-N 3.33Å
104	R	89	Confident	93.3	Very high	88 Å²	88	53.4 Å²	53.4	33%	0.332	29%	0.289	S	S	.	.			trans	-69.7	127.7	-174.7	-175.5	178.5	-56.4	165.2	7	112.1	D96 C99 P100 D108 E109	D96-R104 IonicContact OD1-CZ 2.68Å; D96-R104 IonicContact OD1-NH2 3.88Å; D96-R104 PolarHBondContact OD1-NH2 3.41Å; C99-R104 PolarHBondContact O-NE 3.26Å; C99-R104 PolarHBondContact O-NH2 3.41Å; C99-R104 VanDerWaalsContact SG-CG 3.55Å; P100-R104 PolarHBondContact O-N 2.86Å; R104-D108 WeakPolarHBondContact CA-OD1 3.21Å; R104-E109 HydrophobicContact CG-CB 3.68Å
105	G	88.5	Confident	93.4	Very high	36 Å²	36	52.4 Å²	52.4	37%	0.371	29%	0.285	S	S	.	.			trans	-125.9	177.4	168.3	0	0	0	0	0	112.2	E107 D108 E109	G105-E107 VanDerWaalsContact C-N 3.28Å; G105-E107 PolarHBondContact O-N 3.48Å; G105-D108 PolarHBondContact N-OD1 2.74Å; G105-D108 PolarHBondContact O-N 3.29Å; G105-E109 WeakPolarHBondContact O-CB 3.3Å; G105-E109 PolarHBondContact O-N 2.96Å
106	E	84.6	Confident	93.4	Very high	144 Å²	144	52.3 Å²	52.3	67%	0.673	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-35	-177.1	-175.1	175.2	-179.7	0	0	113.2	K65 D108 H162	K65-E106 PolarHBondContact NZ-O 3.28Å; E106-D108 VanDerWaalsContact C-N 3.32Å; E106-D108 PolarHBondContact O-N 3.35Å; E106-H162 PolarHBondContact O-CD2 2.89Å
107	E	83.5	Confident	93.5	Very high	129 Å²	129	50.5 Å²	50.5	60%	0.603	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-29	179.9	-65.5	-61.7	150.8	0	0	112.5	G105 H162	G105-E107 VanDerWaalsContact C-N 3.28Å; G105-E107 PolarHBondContact O-N 3.48Å; E107-H162 VanDerWaalsContact O-CB 3.25Å; E107-H162 WeakPolarHBondContact O-CB 3.17Å; E107-H162 PolarHBondContact O-CD2 3.34Å; E107-H162 IonicContact OE2-CG 3.67Å
108	D	85.7	Confident	93.5	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.16	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-8.4	-163.8	97.5	-41.4	0	0	0	113	C99 R104 G105 E106 E163 K166	C99-D108 PolarHBondContact SG-O 3.43Å; C99-D108 PolarHBondContact SG-OD2 2.88Å; C99-D108 VanDerWaalsContact SG-OD2 3.37Å; R104-D108 WeakPolarHBondContact CA-OD1 3.21Å; G105-D108 PolarHBondContact N-OD1 2.74Å; G105-D108 PolarHBondContact O-N 3.29Å; E106-D108 VanDerWaalsContact C-N 3.32Å; E106-D108 PolarHBondContact O-N 3.35Å; D108-E163 WeakPolarHBondContact CB-OE1 3.2Å; D108-K166 WeakPolarHBondContact O-CD 3.45Å; D108-K166 PolarHBondContact O-NZ 2.92Å; D108-K166 IonicContact OD2-NZ 3.61Å; D108-K166 PolarHBondContact OD2-NZ 2.92Å
109	E	95.2	Very high	93.6	Very high	47 Å²	47	51.3 Å²	51.3	22%	0.22	27%	0.265	C	S	.	.			trans	-65.1	146.1	178.4	71.3	-178.7	167.1	0	0	112	K65 R104 G105 L111 C161	K65-E109 WeakPolarHBondContact CE-OE1 3.36Å; K65-E109 IonicContact NZ-OE1 3.64Å; K65-E109 PolarHBondContact NZ-OE1 2.76Å; R104-E109 HydrophobicContact CG-CB 3.68Å; G105-E109 WeakPolarHBondContact O-CB 3.3Å; G105-E109 PolarHBondContact O-N 2.96Å; E109-L111 HydrophobicContact CG-CD2 4.27Å; E109-L111 HydrophobicContact CG-CG 4.32Å; E109-C161 PolarHBondContact O-SG 3.27Å; E109-C161 VanDerWaalsContact O-SG 3.33Å
110	I	97.7	Very high	93.8	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	27%	0.265	C	S	.	.			trans	-104.6	110.5	170.8	-56.1	162.2	0	0	0	108.7	V95 I98 A159 K160 C161 K166 L167 L170	V95-I110 HydrophobicContact CG1-CB 4.04Å; V95-I110 HydrophobicContact CG1-CD1 4.32Å; V95-I110 HydrophobicContact CG2-CB 4.48Å; V95-I110 HydrophobicContact CG2-CD1 4.45Å; V95-I110 HydrophobicContact CG2-CG2 4.38Å; I98-I110 HydrophobicContact CB-CD1 4.3Å; I98-I110 HydrophobicContact CG2-CD1 3.9Å; I110-A159 HydrophobicContact CG2-CB 3.99Å; I110-K160 WeakPolarHBondContact CA-O 3.15Å; I110-C161 HydrophobicContact CG1-CB 4.34Å; I110-K166 HydrophobicContact CD1-CB 4.13Å; I110-K166 HydrophobicContact CG1-CB 4.32Å; I110-L167 HydrophobicContact CG2-CD2 4.31Å; I110-L170 HydrophobicContact CG2-CD2 3.89Å
111	L	97.6	Very high	94	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.199	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.2	170.2	-57.9	-176.9	0	0	0	108.6	E109 A159 K160	E109-L111 HydrophobicContact CG-CD2 4.27Å; E109-L111 HydrophobicContact CG-CG 4.32Å; L111-A159 CarbonylContact O-C 3.57Å; L111-A159 VanDerWaalsContact O-CA 3.24Å; L111-A159 WeakPolarHBondContact O-CA 3.34Å; L111-K160 PolarHBondContact N-O 3.06Å; L111-K160 PolarHBondContact O-N 3.35Å
112	Y	98.4	Very high	94.4	Very high	48 Å²	48	49.6 Å²	49.6	19%	0.188	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	164.7	-174.6	70	-88.2	0	0	0	113.5	G58 S59 I91 K92 V95 H158	G58-Y112 WeakPolarHBondContact CA-O 3.32Å; G58-Y112 PolarHBondContact N-O 2.82Å; S59-Y112 PolarHBondContact N-O 2.8Å; S59-Y112 VanDerWaalsContact N-O 3.12Å; I91-Y112 HydrophobicContact CB-CE2 4.33Å; I91-Y112 HydrophobicContact CD1-CD2 3.65Å; I91-Y112 HydrophobicContact CD1-CE2 3.98Å; I91-Y112 HydrophobicContact CD1-CG 4.27Å; I91-Y112 HydrophobicContact CG1-CD2 4.1Å; I91-Y112 HydrophobicContact CG1-CE2 3.99Å; I91-Y112 HydrophobicContact CG2-CD2 4.24Å; I91-Y112 HydrophobicContact CG2-CE2 3.44Å; I91-Y112 VanDerWaalsContact CG2-CE2 3.44Å; K92-Y112 WeakPolarHBondContact CA-OH 3.08Å; K92-Y112 WeakPolarHBondContact CB-OH 3.32Å; V95-Y112 HydrophobicContact CB-CE1 4.21Å; V95-Y112 HydrophobicContact CG1-CE1 4.29Å; V95-Y112 HydrophobicContact CG2-CD1 3.75Å; V95-Y112 HydrophobicContact CG2-CE1 3.76Å; Y112-H158 CarbonylContact C-O 3.44Å; Y112-H158 VanDerWaalsContact CA-O 3.28Å; Y112-H158 WeakPolarHBondContact CA-O 3.32Å
113	G	98.6	Very high	94.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	145.9	168.5	0	0	0	0	0	110.5	Q57 S59 I157 H158	Q57-G113 VanDerWaalsContact OE1-CA 3.25Å; S59-G113 VanDerWaalsContact OG-CA 3.3Å; S59-G113 WeakPolarHBondContact OG-CA 3.14Å; S59-G113 PolarHBondContact OG-N 2.79Å; G113-I157 WeakPolarHBondContact O-CA 3.26Å; G113-H158 PolarHBondContact N-O 2.78Å; G113-H158 PolarHBondContact O-N 2.87Å
114	V	98.9	Very high	95.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.1	176.2	-175.7	0	0	0	0	108.1	Q57 I88 I91 F116 I155 F156 I157 F357	Q57-V114 PolarHBondContact NE2-O 2.93Å; I88-V114 HydrophobicContact CG2-CB 4.46Å; I88-V114 HydrophobicContact CG2-CG1 3.59Å; I88-V114 HydrophobicContact CG2-CG2 4.09Å; I91-V114 HydrophobicContact CD1-CG2 3.88Å; I91-V114 HydrophobicContact CG2-CG2 4.2Å; V114-F116 HydrophobicContact CG1-CD1 4.46Å; V114-F116 HydrophobicContact CG1-CE1 3.8Å; V114-F116 HydrophobicContact CG1-CZ 4.1Å; V114-I155 HydrophobicContact CG1-CG2 4.07Å; V114-F156 CarbonylContact C-O 3.55Å; V114-F156 WeakPolarHBondContact CA-O 3.38Å; V114-I157 HydrophobicContact CG2-CG1 4.38Å; V114-F357 HydrophobicContact CB-CD2 4.45Å; V114-F357 HydrophobicContact CB-CE2 3.79Å; V114-F357 HydrophobicContact CB-CZ 4.29Å; V114-F357 HydrophobicContact CG1-CE2 3.89Å; V114-F357 HydrophobicContact CG2-CE2 4.14Å; V114-F357 HydrophobicContact CG2-CZ 4.11Å
115	G	98.9	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	152.1	172.7	0	0	0	0	0	111.5	F156 Y350	G115-F156 PolarHBondContact N-O 3.28Å; G115-F156 PolarHBondContact O-N 3.1Å; G115-Y350 CarbonylContact C-O 3.4Å; G115-Y350 VanDerWaalsContact CA-O 3.3Å; G115-Y350 WeakPolarHBondContact CA-O 3.42Å
116	F	98.9	Very high	95.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.9	178	-58.8	-53.3	0	0	0	111.3	L85 V114 F120 L121 I124 Y136 I155 Y350 P352 F357 L360	L85-F116 HydrophobicContact CD1-CE1 3.96Å; L85-F116 HydrophobicContact CD1-CE2 4.4Å; L85-F116 HydrophobicContact CD1-CZ 3.51Å; V114-F116 HydrophobicContact CG1-CD1 4.46Å; V114-F116 HydrophobicContact CG1-CE1 3.8Å; V114-F116 HydrophobicContact CG1-CZ 4.1Å; F116-F120 HydrophobicContact CB-CD1 4.14Å; F116-F120 AromaticContact CD1-CD1 3.5Å; F116-F120 HydrophobicContact CD1-CD1 3.5Å; F116-F120 AromaticContact CD1-CE1 3.54Å; F116-F120 HydrophobicContact CD1-CE1 3.54Å; F116-F120 HydrophobicContact CE1-CD1 4.16Å; F116-F120 AromaticContact CE1-CE1 3.7Å; F116-F120 HydrophobicContact CE1-CE1 3.7Å; F116-F120 HydrophobicContact CG-CD1 4Å; F116-F120 HydrophobicContact CG-CE1 4.33Å; F116-L121 HydrophobicContact CB-CB 4.24Å; F116-L121 HydrophobicContact CD2-CD1 4.18Å; F116-I124 HydrophobicContact CD2-CD1 4.16Å; F116-I124 HydrophobicContact CE2-CD1 4.04Å; F116-I124 HydrophobicContact CG-CD1 4.42Å; F116-I124 HydrophobicContact CZ-CD1 4.23Å; F116-Y136 PolarHBondContact O-OH 2.96Å; F116-I155 HydrophobicContact CD1-CG1 4.3Å; F116-I155 HydrophobicContact CE1-CG1 4.45Å; F116-Y350 PolarHBondContact N-O 3.34Å; F116-Y350 PolarHBondContact O-N 3.32Å; F116-P352 HydrophobicContact CD2-CG 4.28Å; F116-P352 HydrophobicContact CE2-CG 3.9Å; F116-F357 HydrophobicContact CE2-CD2 4.14Å; F116-F357 HydrophobicContact CE2-CE2 4.35Å; F116-F357 AromaticContact CZ-CD2 3.96Å; F116-F357 HydrophobicContact CZ-CD2 3.96Å; F116-F357 AromaticContact CZ-CE2 3.7Å; F116-F357 HydrophobicContact CZ-CE2 3.7Å; F116-L360 HydrophobicContact CD2-CD1 4.48Å; F116-L360 HydrophobicContact CE2-CD1 3.96Å
117	G	98.7	Very high	96	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	20%	0.198	C	C	.	.			trans	-63.9	156.5	167.2	0	0	0	0	0	110.5	E119 F120 L121 Y136 G153 D154	G117-E119 PolarHBondContact O-N 3.49Å; G117-F120 PolarHBondContact O-N 3.02Å; G117-L121 PolarHBondContact O-N 2.83Å; G117-Y136 PolarHBondContact O-OH 3.44Å; G117-G153 WeakPolarHBondContact CA-O 3.27Å; G117-D154 PolarHBondContact N-O 3.13Å
118	L	98.3	Very high	96.5	Very high	15 Å²	15	33.9 Å²	33.9	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-58.1	-48.8	-174.8	179.3	62.9	0	0	0	112.4	F120 L121 Q122 F128 N135 Y136 E137	L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 3.12Å; L118-L121 PolarHBondContact O-N 3.2Å; L118-Q122 HydrophobicContact CD1-CG 4.39Å; L118-Q122 VanDerWaalsContact O-CG 3.3Å; L118-Q122 WeakPolarHBondContact O-CG 3.3Å; L118-Q122 PolarHBondContact O-N 2.85Å; L118-F128 HydrophobicContact CD1-CE2 4.21Å; L118-F128 HydrophobicContact CD1-CZ 4.03Å; L118-N135 WeakPolarHBondContact CD2-OD1 3.25Å; L118-Y136 HydrophobicContact CB-CD2 4.27Å; L118-Y136 HydrophobicContact CB-CE2 3.85Å; L118-Y136 HydrophobicContact CD1-CD1 4.07Å; L118-Y136 HydrophobicContact CD1-CE1 3.76Å; L118-Y136 HydrophobicContact CD1-CE2 4.29Å; L118-Y136 HydrophobicContact CD1-CG 4.45Å; L118-E137 HydrophobicContact CD2-CB 3.79Å; L118-E137 WeakPolarHBondContact CD2-OE2 3.31Å
119	E	97.4	Very high	96.9	Very high	112 Å²	112	38.4 Å²	38.4	52%	0.523	19%	0.191	S	C	.	.	H	α-helix	trans	-63.9	-39.1	-178.5	-65.9	178.3	-161.4	0	0	112	G117 Q122 K123	G117-E119 PolarHBondContact O-N 3.49Å; E119-Q122 PolarHBondContact O-N 2.83Å; E119-K123 WeakPolarHBondContact O-CG 3.28Å; E119-K123 PolarHBondContact O-N 3.39Å
120	F	98.5	Very high	96.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-46	175.3	-173.9	-99.5	0	0	0	111.2	L75 P81 L85 F116 G117 L118 Q122 K123 I124 D154 I155	L75-F120 HydrophobicContact CD1-CD2 3.78Å; L75-F120 HydrophobicContact CD1-CE2 3.43Å; L75-F120 VanDerWaalsContact CD1-CE2 3.43Å; L75-F120 HydrophobicContact CD1-CZ 4.41Å; P81-F120 HydrophobicContact CB-CD2 4.43Å; P81-F120 HydrophobicContact CB-CE2 3.89Å; L85-F120 HydrophobicContact CB-CZ 4.29Å; F116-F120 HydrophobicContact CB-CD1 4.14Å; F116-F120 AromaticContact CD1-CD1 3.5Å; F116-F120 HydrophobicContact CD1-CD1 3.5Å; F116-F120 AromaticContact CD1-CE1 3.54Å; F116-F120 HydrophobicContact CD1-CE1 3.54Å; F116-F120 HydrophobicContact CE1-CD1 4.16Å; F116-F120 AromaticContact CE1-CE1 3.7Å; F116-F120 HydrophobicContact CE1-CE1 3.7Å; F116-F120 HydrophobicContact CG-CD1 4Å; F116-F120 HydrophobicContact CG-CE1 4.33Å; G117-F120 PolarHBondContact O-N 3.02Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 3.12Å; F120-Q122 VanDerWaalsContact C-N 3.3Å; F120-Q122 PolarHBondContact O-N 3.27Å; F120-K123 WeakPolarHBondContact O-CB 3.42Å; F120-K123 PolarHBondContact O-N 3.36Å; F120-K123 VanDerWaalsContact O-N 3.08Å; F120-I124 HydrophobicContact CD1-CD1 4.1Å; F120-I124 HydrophobicContact CD1-CG1 4.42Å; F120-I124 HydrophobicContact CD1-CG2 4.39Å; F120-I124 HydrophobicContact CE1-CD1 3.76Å; F120-I124 HydrophobicContact CE1-CG1 4.33Å; F120-I124 HydrophobicContact CE1-CG2 3.89Å; F120-I124 HydrophobicContact CE2-CG2 4.26Å; F120-I124 HydrophobicContact CZ-CG2 3.81Å; F120-I124 WeakPolarHBondContact O-CG1 3.3Å; F120-I124 PolarHBondContact O-N 3.42Å; F120-D154 HydrophobicContact CB-CB 3.95Å; F120-D154 WeakPolarHBondContact CB-O 3.03Å; F120-D154 HydrophobicContact CD2-CB 3.96Å; F120-D154 HydrophobicContact CG-CB 4.11Å; F120-I155 HydrophobicContact CD1-CG1 4.22Å; F120-I155 HydrophobicContact CE1-CD1 4.41Å; F120-I155 HydrophobicContact CE1-CG1 3.97Å; F120-I155 HydrophobicContact CE2-CD1 4.27Å; F120-I155 HydrophobicContact CE2-CG1 4.42Å; F120-I155 HydrophobicContact CZ-CD1 4.03Å; F120-I155 HydrophobicContact CZ-CG1 4.08Å
121	L	98	Very high	96.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-40.8	177	-173.7	71	0	0	0	111.7	F116 G117 L118 K123 I124 S125 F128 I133 Y136 Y350 L360	F116-L121 HydrophobicContact CB-CB 4.24Å; F116-L121 HydrophobicContact CD2-CD1 4.18Å; G117-L121 PolarHBondContact O-N 2.83Å; L118-L121 PolarHBondContact O-N 3.2Å; L121-K123 VanDerWaalsContact C-N 3.27Å; L121-K123 PolarHBondContact O-N 3.22Å; L121-I124 HydrophobicContact CD1-CD1 4.3Å; L121-I124 HydrophobicContact CD1-CG1 4.31Å; L121-I124 PolarHBondContact O-N 3.49Å; L121-S125 CarbonylContact O-C 3.53Å; L121-S125 WeakPolarHBondContact O-CA 3.26Å; L121-S125 PolarHBondContact O-N 2.88Å; L121-F128 HydrophobicContact CD2-CB 3.94Å; L121-F128 HydrophobicContact CD2-CD2 3.78Å; L121-F128 HydrophobicContact CD2-CG 3.95Å; L121-F128 HydrophobicContact CG-CB 4.24Å; L121-F128 HydrophobicContact CG-CG 4.41Å; L121-I133 HydrophobicContact CD2-CD1 4.12Å; L121-I133 HydrophobicContact CD2-CG2 4.22Å; L121-Y136 WeakPolarHBondContact CB-OH 3.39Å; L121-Y136 HydrophobicContact CD2-CE1 3.69Å; L121-Y136 WeakPolarHBondContact CD2-OH 3.21Å; L121-Y350 HydrophobicContact CD2-CD1 4.22Å; L121-L360 HydrophobicContact CD1-CD1 4.49Å
122	Q	97.2	Very high	96.3	Very high	84 Å²	84	43 Å²	43	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-59.1	-37.7	175.6	-75.8	171.1	-17.5	0	0	112.2	L118 E119 F120 P126 F128	L118-Q122 HydrophobicContact CD1-CG 4.39Å; L118-Q122 VanDerWaalsContact O-CG 3.3Å; L118-Q122 WeakPolarHBondContact O-CG 3.3Å; L118-Q122 PolarHBondContact O-N 2.85Å; E119-Q122 PolarHBondContact O-N 2.83Å; F120-Q122 VanDerWaalsContact C-N 3.3Å; F120-Q122 PolarHBondContact O-N 3.27Å; Q122-P126 VanDerWaalsContact O-CA 3.28Å; Q122-P126 WeakPolarHBondContact O-CA 3.13Å; Q122-P126 WeakPolarHBondContact O-CG 3.36Å; Q122-F128 HydrophobicContact CG-CD1 4.43Å; Q122-F128 HydrophobicContact CG-CE1 3.76Å; Q122-F128 HydrophobicContact CG-CZ 4.32Å
123	K	97	Very high	96.2	Very high	95 Å²	95	40.9 Å²	40.9	41%	0.413	22%	0.217	S	C	.	.	H	α-helix	trans	-71.2	-42.5	177.6	-68.3	169.7	-173.6	173.5	0	112.6	P81 E119 F120 L121	P81-K123 HydrophobicContact CB-CB 4.1Å; P81-K123 HydrophobicContact CG-CB 3.97Å; P81-K123 HydrophobicContact CG-CD 3.84Å; P81-K123 HydrophobicContact CG-CG 4.42Å; E119-K123 WeakPolarHBondContact O-CG 3.28Å; E119-K123 PolarHBondContact O-N 3.39Å; F120-K123 WeakPolarHBondContact O-CB 3.42Å; F120-K123 PolarHBondContact O-N 3.36Å; F120-K123 VanDerWaalsContact O-N 3.08Å; L121-K123 VanDerWaalsContact C-N 3.27Å; L121-K123 PolarHBondContact O-N 3.22Å
124	I	96.3	Very high	96.1	Very high	26 Å²	26	43.4 Å²	43.4	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-86.5	-19.4	-177	66.4	164.5	0	0	0	113.6	P81 L85 F116 F120 L121 L360	P81-I124 HydrophobicContact CB-CG2 3.75Å; L85-I124 HydrophobicContact CB-CG2 4.44Å; L85-I124 HydrophobicContact CD1-CD1 3.96Å; L85-I124 HydrophobicContact CD2-CB 3.99Å; L85-I124 HydrophobicContact CD2-CD1 3.76Å; L85-I124 HydrophobicContact CD2-CG1 4.46Å; L85-I124 HydrophobicContact CD2-CG2 4.09Å; L85-I124 HydrophobicContact CG-CD1 4.44Å; F116-I124 HydrophobicContact CD2-CD1 4.16Å; F116-I124 HydrophobicContact CE2-CD1 4.04Å; F116-I124 HydrophobicContact CG-CD1 4.42Å; F116-I124 HydrophobicContact CZ-CD1 4.23Å; F120-I124 HydrophobicContact CD1-CD1 4.1Å; F120-I124 HydrophobicContact CD1-CG1 4.42Å; F120-I124 HydrophobicContact CD1-CG2 4.39Å; F120-I124 HydrophobicContact CE1-CD1 3.76Å; F120-I124 HydrophobicContact CE1-CG1 4.33Å; F120-I124 HydrophobicContact CE1-CG2 3.89Å; F120-I124 HydrophobicContact CE2-CG2 4.26Å; F120-I124 HydrophobicContact CZ-CG2 3.81Å; F120-I124 WeakPolarHBondContact O-CG1 3.3Å; F120-I124 PolarHBondContact O-N 3.42Å; L121-I124 HydrophobicContact CD1-CD1 4.3Å; L121-I124 HydrophobicContact CD1-CG1 4.31Å; L121-I124 PolarHBondContact O-N 3.49Å; I124-L360 HydrophobicContact CD1-CD2 4.46Å
125	S	95.7	Very high	95.9	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.042	26%	0.257	C	S	.	.			trans	-148	78.6	176.3	-176.2	0	0	0	0	110.8	L121 N127 F128 R131	L121-S125 CarbonylContact O-C 3.53Å; L121-S125 WeakPolarHBondContact O-CA 3.26Å; L121-S125 PolarHBondContact O-N 2.88Å; S125-N127 PolarHBondContact O-N 3.11Å; S125-N127 PolarHBondContact OG-OD1 2.91Å; S125-F128 WeakPolarHBondContact O-CB 3.46Å; S125-F128 WeakPolarHBondContact O-CD1 3.49Å; S125-F128 PolarHBondContact O-N 3.48Å; S125-R131 VanDerWaalsContact CB-NH2 3.31Å; S125-R131 PolarHBondContact OG-NE 3.06Å; S125-R131 VanDerWaalsContact OG-NE 3.11Å; S125-R131 PolarHBondContact OG-NH2 2.95Å
126	P	93.6	Very high	95.9	Very high	107 Å²	107	47.7 Å²	47.7	70%	0.695	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-25	179.4	-25.6	33.9	0	0	0	114	Q122	Q122-P126 VanDerWaalsContact O-CA 3.28Å; Q122-P126 WeakPolarHBondContact O-CA 3.13Å; Q122-P126 WeakPolarHBondContact O-CG 3.36Å
127	N	92.7	Very high	95.8	Very high	86 Å²	86	51.8 Å²	51.8	46%	0.46	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	15.5	179.5	67.7	-14.5	0	0	0	114.1	S125 Q129 S130	S125-N127 PolarHBondContact O-N 3.11Å; S125-N127 PolarHBondContact OG-OD1 2.91Å; N127-Q129 PolarHBondContact O-N 3Å; N127-Q129 VanDerWaalsContact O-N 3.1Å; N127-S130 WeakPolarHBondContact O-CB 3.39Å; N127-S130 PolarHBondContact O-N 3.37Å; N127-S130 PolarHBondContact O-OG 3.36Å
128	F	94.3	Very high	95.8	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.035	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-51.2	-36.6	-174.5	74.3	-76	0	0	0	114.5	L118 L121 Q122 S125 S130 R131 I133 Y136	L118-F128 HydrophobicContact CD1-CE2 4.21Å; L118-F128 HydrophobicContact CD1-CZ 4.03Å; L121-F128 HydrophobicContact CD2-CB 3.94Å; L121-F128 HydrophobicContact CD2-CD2 3.78Å; L121-F128 HydrophobicContact CD2-CG 3.95Å; L121-F128 HydrophobicContact CG-CB 4.24Å; L121-F128 HydrophobicContact CG-CG 4.41Å; Q122-F128 HydrophobicContact CG-CD1 4.43Å; Q122-F128 HydrophobicContact CG-CE1 3.76Å; Q122-F128 HydrophobicContact CG-CZ 4.32Å; S125-F128 WeakPolarHBondContact O-CB 3.46Å; S125-F128 WeakPolarHBondContact O-CD1 3.49Å; S125-F128 PolarHBondContact O-N 3.48Å; F128-S130 VanDerWaalsContact C-N 3.34Å; F128-S130 PolarHBondContact O-N 2.84Å; F128-R131 WeakPolarHBondContact O-CA 3.45Å; F128-R131 WeakPolarHBondContact O-CB 3.47Å; F128-R131 PolarHBondContact O-N 2.85Å; F128-I133 HydrophobicContact CB-CB 4.47Å; F128-I133 HydrophobicContact CB-CD1 4.05Å; F128-I133 HydrophobicContact CD2-CB 3.76Å; F128-I133 HydrophobicContact CD2-CG2 3.67Å; F128-I133 HydrophobicContact CE2-CG2 4.23Å; F128-I133 PolarHBondContact O-N 3.38Å; F128-Y136 HydrophobicContact CE2-CE1 4.48Å
129	Q	94.2	Very high	95.8	Very high	124 Å²	124	56.1 Å²	56.1	58%	0.579	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.4	-36.3	177.9	-64.9	-179.1	-48.4	0	0	113.2	N127 R131 G132 I133	N127-Q129 PolarHBondContact O-N 3Å; N127-Q129 VanDerWaalsContact O-N 3.1Å; Q129-R131 PolarHBondContact O-N 3.03Å; Q129-G132 PolarHBondContact O-N 3.45Å; Q129-I133 WeakPolarHBondContact CA-O 3.49Å
130	S	93.7	Very high	95.8	Very high	98 Å²	98	55.7 Å²	55.7	69%	0.685	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-64.7	-20.3	174.9	72.9	0	0	0	0	112.6	N127 F128 G132	N127-S130 WeakPolarHBondContact O-CB 3.39Å; N127-S130 PolarHBondContact O-N 3.37Å; N127-S130 PolarHBondContact O-OG 3.36Å; F128-S130 VanDerWaalsContact C-N 3.34Å; F128-S130 PolarHBondContact O-N 2.84Å; S130-G132 VanDerWaalsContact C-N 3.3Å
131	R	89.3	Confident	95.8	Very high	70 Å²	70	55.8 Å²	55.8	26%	0.264	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-87.5	0	175.4	-54.1	-172.6	-69.3	119	7.6	112.6	S125 F128 Q129 E356	S125-R131 VanDerWaalsContact CB-NH2 3.31Å; S125-R131 PolarHBondContact OG-NE 3.06Å; S125-R131 VanDerWaalsContact OG-NE 3.11Å; S125-R131 PolarHBondContact OG-NH2 2.95Å; F128-R131 WeakPolarHBondContact O-CA 3.45Å; F128-R131 WeakPolarHBondContact O-CB 3.47Å; F128-R131 PolarHBondContact O-N 2.85Å; Q129-R131 PolarHBondContact O-N 3.03Å; R131-E356 IonicContact CZ-OE1 3.51Å; R131-E356 IonicContact NH1-OE1 3.51Å; R131-E356 PolarHBondContact NH1-OE1 3.38Å; R131-E356 IonicContact NH2-OE1 3.81Å
132	G	93.8	Very high	95.8	Very high	22 Å²	22	59.9 Å²	59.9	23%	0.227	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	4.4	176.8	0	0	0	0	0	115	Q129 S130 S134 T225	Q129-G132 PolarHBondContact O-N 3.45Å; S130-G132 VanDerWaalsContact C-N 3.3Å; G132-S134 PolarHBondContact O-N 3.47Å; G132-T225 VanDerWaalsContact C-CG2 3.48Å
133	I	97.1	Very high	95.8	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-78.2	119.4	174.5	-57.6	166.9	0	0	0	108.5	L121 F128 Q129 Y136 T225 Y229 Y350 E356	L121-I133 HydrophobicContact CD2-CD1 4.12Å; L121-I133 HydrophobicContact CD2-CG2 4.22Å; F128-I133 HydrophobicContact CB-CB 4.47Å; F128-I133 HydrophobicContact CB-CD1 4.05Å; F128-I133 HydrophobicContact CD2-CB 3.76Å; F128-I133 HydrophobicContact CD2-CG2 3.67Å; F128-I133 HydrophobicContact CE2-CG2 4.23Å; F128-I133 PolarHBondContact O-N 3.38Å; Q129-I133 WeakPolarHBondContact CA-O 3.49Å; I133-Y136 HydrophobicContact CG2-CD1 4.11Å; I133-Y136 HydrophobicContact CG2-CE1 3.91Å; I133-T225 HydrophobicContact CG1-CG2 3.69Å; I133-Y229 HydrophobicContact CG2-CE1 4.15Å; I133-Y350 HydrophobicContact CD1-CD1 3.98Å; I133-Y350 HydrophobicContact CD1-CE1 3.4Å; I133-Y350 VanDerWaalsContact CD1-CE1 3.4Å; I133-Y350 HydrophobicContact CD1-CE2 4.4Å; I133-Y350 HydrophobicContact CG1-CE1 3.93Å; I133-Y350 HydrophobicContact CG1-CE2 4.02Å; I133-Y350 HydrophobicContact CG2-CD2 4.01Å; I133-Y350 HydrophobicContact CG2-CE2 4.09Å; I133-Y350 HydrophobicContact CG2-CG 4.22Å; I133-E356 WeakPolarHBondContact CD1-OE1 3.1Å
134	S	95.3	Very high	95.9	Very high	54 Å²	54	59.2 Å²	59.2	38%	0.378	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-65.8	161.5	175.5	-64.6	0	0	0	0	110.9	G132 Y136 Y229	G132-S134 PolarHBondContact O-N 3.47Å; S134-Y136 VanDerWaalsContact O-CD1 3.32Å; S134-Y136 WeakPolarHBondContact O-CD1 3.38Å; S134-Y136 PolarHBondContact O-N 3.11Å; S134-Y229 PolarHBondContact N-OH 3.11Å
135	N	95.7	Very high	95.9	Very high	88 Å²	88	60.4 Å²	60.4	47%	0.471	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65.3	132	163.5	-172.3	27.5	0	0	0	109.1	L118	L118-N135 WeakPolarHBondContact CD2-OD1 3.25Å
136	Y	97.7	Very high	96.1	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.008	34%	0.342	C	S	.	.			trans	-127.6	38.6	-177	57.4	-88.4	0	0	0	111.4	F116 G117 L118 L121 F128 I133 S134 Y138 Y229 Y348 Y350	F116-Y136 PolarHBondContact O-OH 2.96Å; G117-Y136 PolarHBondContact O-OH 3.44Å; L118-Y136 HydrophobicContact CB-CD2 4.27Å; L118-Y136 HydrophobicContact CB-CE2 3.85Å; L118-Y136 HydrophobicContact CD1-CD1 4.07Å; L118-Y136 HydrophobicContact CD1-CE1 3.76Å; L118-Y136 HydrophobicContact CD1-CE2 4.29Å; L118-Y136 HydrophobicContact CD1-CG 4.45Å; L121-Y136 WeakPolarHBondContact CB-OH 3.39Å; L121-Y136 HydrophobicContact CD2-CE1 3.69Å; L121-Y136 WeakPolarHBondContact CD2-OH 3.21Å; F128-Y136 HydrophobicContact CE2-CE1 4.48Å; I133-Y136 HydrophobicContact CG2-CD1 4.11Å; I133-Y136 HydrophobicContact CG2-CE1 3.91Å; S134-Y136 VanDerWaalsContact O-CD1 3.32Å; S134-Y136 WeakPolarHBondContact O-CD1 3.38Å; S134-Y136 PolarHBondContact O-N 3.11Å; Y136-Y138 PolarHBondContact O-N 3.38Å; Y136-Y229 HydrophobicContact CD1-CD1 4.16Å; Y136-Y229 AromaticContact CD1-CE1 3.78Å; Y136-Y229 HydrophobicContact CD1-CE1 3.78Å; Y136-Y229 HydrophobicContact CG-CD1 4.02Å; Y136-Y229 HydrophobicContact CG-CE1 4.08Å; Y136-Y348 VanDerWaalsContact O-CB 3.27Å; Y136-Y348 WeakPolarHBondContact O-CB 3.37Å; Y136-Y348 WeakPolarHBondContact O-CD2 3.44Å; Y136-Y350 HydrophobicContact CE1-CG 4.38Å; Y136-Y350 VanDerWaalsContact CZ-CB 3.48Å
137	E	98	Very high	96.3	Very high	85 Å²	85	60.6 Å²	60.6	40%	0.397	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-60.9	124.9	175.6	175.9	67.9	169.2	0	0	110.8	L118 R139 K150	L118-E137 HydrophobicContact CD2-CB 3.79Å; L118-E137 WeakPolarHBondContact CD2-OE2 3.31Å; E137-R139 PolarHBondContact O-N 3.31Å; E137-K150 WeakPolarHBondContact OE1-CE 3.24Å; E137-K150 IonicContact OE1-NZ 3.88Å; E137-K150 PolarHBondContact OE1-NZ 2.56Å; E137-K150 IonicContact OE2-NZ 2.76Å; E137-K150 PolarHBondContact OE2-NZ 3.47Å
138	Y	98.5	Very high	96.6	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.008	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-75.5	116.2	176.1	-174.2	-84.1	0	0	0	110.3	Y136 P149 K150 V231 Q233 L322 N347 Y348	Y136-Y138 PolarHBondContact O-N 3.38Å; Y138-P149 WeakPolarHBondContact CE1-O 3.4Å; Y138-K150 HydrophobicContact CD1-CB 3.89Å; Y138-K150 HydrophobicContact CD1-CG 4.04Å; Y138-K150 HydrophobicContact CE1-CB 4.48Å; Y138-K150 WeakPolarHBondContact O-CD 3.46Å; Y138-V231 HydrophobicContact CE2-CG2 4.17Å; Y138-Q233 PolarHBondContact OH-NE2 2.91Å; Y138-L322 HydrophobicContact CE2-CD1 3.96Å; Y138-N347 VanDerWaalsContact CD2-C 3.48Å; Y138-Y348 AromaticContact CD2-CD1 3.55Å; Y138-Y348 HydrophobicContact CD2-CD1 3.55Å; Y138-Y348 HydrophobicContact CD2-CD2 4.09Å; Y138-Y348 AromaticContact CD2-CE1 3.61Å; Y138-Y348 HydrophobicContact CD2-CE1 3.61Å; Y138-Y348 HydrophobicContact CD2-CE2 4.18Å; Y138-Y348 AromaticContact CD2-CG 3.76Å; Y138-Y348 HydrophobicContact CD2-CG 3.76Å; Y138-Y348 AromaticContact CD2-CZ 3.93Å; Y138-Y348 HydrophobicContact CE2-CD1 4.17Å; Y138-Y348 AromaticContact CE2-CE1 3.9Å; Y138-Y348 HydrophobicContact CE2-CE1 3.9Å; Y138-Y348 HydrophobicContact CG-CG 4.45Å
139	R	97.4	Very high	96.8	Very high	105 Å²	105	56.5 Å²	56.5	40%	0.396	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-82.4	122.7	174.4	-177.6	165.6	60	80.5	-4.4	111.2	E137 R141 D323 D328	E137-R139 PolarHBondContact O-N 3.31Å; R139-R141 PolarHBondContact O-NH1 2.82Å; R139-D323 IonicContact CZ-OD1 2.96Å; R139-D323 IonicContact NH1-OD1 2.71Å; R139-D323 IonicContact NH2-OD1 3.68Å; R139-D323 PolarHBondContact NH2-OD1 2.93Å; R139-D323 IonicContact NH2-OD2 2.96Å; R139-D323 PolarHBondContact NH2-OD2 2.95Å; R139-D323 VanDerWaalsContact NH2-OD2 3.1Å; R139-D328 IonicContact CZ-OD2 2.83Å; R139-D328 IonicContact NH1-OD2 2.56Å; R139-D328 PolarHBondContact NH1-OD2 2.8Å
140	E	98.3	Very high	97	Very high	103 Å²	103	53.8 Å²	53.8	48%	0.481	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-64	138.3	167.4	178.5	157.8	139.1	0	0	110.5	L148 P149 K150	E140-L148 WeakPolarHBondContact CA-O 3.32Å; E140-P149 WeakPolarHBondContact OE2-CA 3.36Å; E140-K150 HydrophobicContact CB-CB 4.23Å; E140-K150 PolarHBondContact OE2-N 3.5Å
141	R	98.3	Very high	97.2	Very high	4 Å²	4	52 Å²	52	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.3	-179.8	-61.8	155	172.7	94.6	-3.7	110.4	R139 K147 L148 D319 D323 T326	R139-R141 PolarHBondContact O-NH1 2.82Å; R141-K147 CarbonylContact O-C 3.54Å; R141-K147 VanDerWaalsContact O-CA 3.3Å; R141-K147 WeakPolarHBondContact O-CA 3.47Å; R141-K147 WeakPolarHBondContact O-CB 3.17Å; R141-L148 HydrophobicContact CB-CB 4.19Å; R141-L148 HydrophobicContact CB-CD1 4.31Å; R141-L148 HydrophobicContact CB-CG 4.49Å; R141-L148 PolarHBondContact N-O 3.28Å; R141-L148 PolarHBondContact O-N 2.85Å; R141-D319 IonicContact CZ-OD1 2.77Å; R141-D319 IonicContact NH1-OD1 2.67Å; R141-D319 IonicContact NH2-OD1 2.75Å; R141-D319 PolarHBondContact NH2-OD1 3Å; R141-D323 IonicContact CZ-OD1 3.66Å; R141-D323 VanDerWaalsContact CZ-OD1 3.27Å; R141-D323 IonicContact NE-OD1 3Å; R141-D323 PolarHBondContact NE-OD1 2.56Å; R141-D323 IonicContact NH2-OD1 3.69Å; R141-D323 PolarHBondContact NH2-OD1 2.93Å; R141-T326 HydrophobicContact CB-CG2 3.78Å; R141-T326 WeakPolarHBondContact CB-OG1 3.09Å
142	S	98.1	Very high	97.5	Very high	86 Å²	86	49.6 Å²	49.6	60%	0.601	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	123	176	-171.4	0	0	0	0	109.9
143	G	97.5	Very high	97.8	Very high	15 Å²	15	49.2 Å²	49.2	16%	0.155	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	179.7	173.4	0	0	0	0	0	111.8	L145 G146 T326	G143-L145 PolarHBondContact O-N 2.87Å; G143-G146 PolarHBondContact N-O 2.9Å; G143-G146 PolarHBondContact O-N 2.85Å; G143-G146 VanDerWaalsContact O-O 3.12Å; G143-T326 WeakPolarHBondContact CA-O 3.45Å
144	N	97.5	Very high	97.8	Very high	150 Å²	150	50 Å²	50	80%	0.802	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.9	-175.5	-65.7	-24.3	0	0	0	113.6	N334	N144-N334 PolarHBondContact N-OD1 2.97Å
145	L	98.2	Very high	98	Very high	52 Å²	52	47.4 Å²	47.4	27%	0.272	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-8.3	-179.7	-63.7	-179.1	0	0	0	113.2	G143 N334 D335 M338 R339	G143-L145 PolarHBondContact O-N 2.87Å; L145-N334 HydrophobicContact CB-CB 4.48Å; L145-N334 HydrophobicContact CD1-CB 3.85Å; L145-N334 HydrophobicContact CG-CB 4.05Å; L145-D335 WeakPolarHBondContact CD1-O 3.21Å; L145-M338 HydrophobicContact CB-CB 3.88Å; L145-R339 HydrophobicContact CD1-CG 3.98Å; L145-R339 HydrophobicContact CD2-CG 4.26Å
146	G	97.9	Very high	98.2	Very high	24 Å²	24	43.2 Å²	43.2	25%	0.247	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-175.9	178.7	0	0	0	0	0	113.1	G143 M338	G143-G146 PolarHBondContact N-O 2.9Å; G143-G146 PolarHBondContact O-N 2.85Å; G143-G146 VanDerWaalsContact O-O 3.12Å; G146-M338 VanDerWaalsContact C-CE 3.49Å
147	K	98.4	Very high	98.2	Very high	92 Å²	92	43.1 Å²	43.1	40%	0.4	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	160.1	-176.7	65.1	174.6	-172.3	170.9	0	112.1	R141 C343	R141-K147 CarbonylContact O-C 3.54Å; R141-K147 VanDerWaalsContact O-CA 3.3Å; R141-K147 WeakPolarHBondContact O-CA 3.47Å; R141-K147 WeakPolarHBondContact O-CB 3.17Å; K147-C343 WeakPolarHBondContact O-CB 3.29Å
148	L	98.8	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	86	170.5	-57.2	178.4	0	0	0	107.2	E140 R141 W235 L322 T326 M338 C343	E140-L148 WeakPolarHBondContact CA-O 3.32Å; R141-L148 HydrophobicContact CB-CB 4.19Å; R141-L148 HydrophobicContact CB-CD1 4.31Å; R141-L148 HydrophobicContact CB-CG 4.49Å; R141-L148 PolarHBondContact N-O 3.28Å; R141-L148 PolarHBondContact O-N 2.85Å; L148-W235 HydrophobicContact CD2-CH2 3.49Å; L148-W235 VanDerWaalsContact CD2-CH2 3.49Å; L148-W235 HydrophobicContact CD2-CZ2 3.64Å; L148-L322 HydrophobicContact CD1-CB 3.83Å; L148-L322 HydrophobicContact CD1-CD2 3.94Å; L148-L322 HydrophobicContact CD1-CG 4.3Å; L148-T326 HydrophobicContact CD1-CG2 3.73Å; L148-T326 HydrophobicContact CG-CG2 3.72Å; L148-M338 HydrophobicContact CD2-CE 4.35Å; L148-C343 HydrophobicContact CD2-CB 3.76Å
149	P	98.6	Very high	98.3	Very high	9 Å²	9	39 Å²	39	6%	0.058	22%	0.216	C	C	.	.			trans	-71.6	148.6	-170	30.4	-34.2	0	0	0	112.2	Y138 E140 T151 V344 G346	Y138-P149 WeakPolarHBondContact CE1-O 3.4Å; E140-P149 WeakPolarHBondContact OE2-CA 3.36Å; P149-T151 HydrophobicContact CB-CG2 4.49Å; P149-T151 HydrophobicContact CG-CG2 4.49Å; P149-V344 WeakPolarHBondContact CG-O 3.37Å; P149-G346 VanDerWaalsContact O-CA 3.32Å; P149-G346 WeakPolarHBondContact O-CA 3.19Å; P149-G346 PolarHBondContact O-N 3.32Å
150	K	98.4	Very high	98.3	Very high	67 Å²	67	34.1 Å²	34.1	29%	0.291	20%	0.198	S	C	.	.			trans	-86.7	112.5	167	-172.5	-169.5	-173.8	-166.5	0	109	E137 Y138 E140	E137-K150 WeakPolarHBondContact OE1-CE 3.24Å; E137-K150 IonicContact OE1-NZ 3.88Å; E137-K150 PolarHBondContact OE1-NZ 2.56Å; E137-K150 IonicContact OE2-NZ 2.76Å; E137-K150 PolarHBondContact OE2-NZ 3.47Å; Y138-K150 HydrophobicContact CD1-CB 3.89Å; Y138-K150 HydrophobicContact CD1-CG 4.04Å; Y138-K150 HydrophobicContact CE1-CB 4.48Å; Y138-K150 WeakPolarHBondContact O-CD 3.46Å; E140-K150 HydrophobicContact CB-CB 4.23Å; E140-K150 PolarHBondContact OE2-N 3.5Å
151	T	98.2	Very high	98.3	Very high	61 Å²	61	29.2 Å²	29.2	37%	0.374	18%	0.175	S	C	.	.			trans	-107	-12.6	178.9	53.6	0	0	0	0	114.2	P149 T345 G346	P149-T151 HydrophobicContact CB-CG2 4.49Å; P149-T151 HydrophobicContact CG-CG2 4.49Å; T151-T345 HydrophobicContact CG2-CG2 4.21Å; T151-T345 WeakPolarHBondContact OG1-CB 3.48Å; T151-G346 PolarHBondContact N-O 2.71Å; T151-G346 PolarHBondContact OG1-N 3.48Å; T151-G346 PolarHBondContact OG1-O 2.86Å
152	G	96.8	Very high	98.3	Very high	19 Å²	19	31.4 Å²	31.4	20%	0.196	19%	0.185	C	C	.	.			trans	65.9	-158.3	176.4	0	0	0	0	0	113.8
153	G	98.5	Very high	98.2	Very high	14 Å²	14	31.6 Å²	31.6	14%	0.144	18%	0.176	C	C	.	.			trans	131.2	153	-176.1	0	0	0	0	0	111	H74 G117	H74-G153 VanDerWaalsContact CE1-CA 3.47Å; H74-G153 WeakPolarHBondContact CE1-CA 3.49Å; G117-G153 WeakPolarHBondContact CA-O 3.27Å
154	D	98.8	Very high	98.1	Very high	18 Å²	18	36 Å²	36	10%	0.096	19%	0.189	C	C	.	.	S	Bend	trans	-98.2	-48.4	-170.4	-64.8	-78.4	0	0	0	111.6	I73 H74 L75 G117 F120	I73-D154 PolarHBondContact O-N 2.94Å; H74-D154 WeakPolarHBondContact CA-OD2 3.47Å; L75-D154 HydrophobicContact CB-CB 4.44Å; L75-D154 HydrophobicContact CD1-CB 4.08Å; L75-D154 HydrophobicContact CG-CB 3.95Å; L75-D154 PolarHBondContact N-OD2 3.26Å; G117-D154 PolarHBondContact N-O 3.13Å; F120-D154 HydrophobicContact CB-CB 3.95Å; F120-D154 WeakPolarHBondContact CB-O 3.03Å; F120-D154 HydrophobicContact CD2-CB 3.96Å; F120-D154 HydrophobicContact CG-CB 4.11Å
155	I	98.9	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.6	-178.7	-61.5	150	0	0	0	108.2	I73 L75 I88 V114 F116 F120 I157	I73-I155 HydrophobicContact CB-CB 4.28Å; I73-I155 HydrophobicContact CD1-CG2 4.48Å; I73-I155 PolarHBondContact N-O 2.77Å; I73-I155 PolarHBondContact O-N 2.65Å; L75-I155 HydrophobicContact CD1-CD1 3.95Å; L75-I155 HydrophobicContact CD2-CD1 4.34Å; L75-I155 HydrophobicContact CG-CD1 4.36Å; I88-I155 HydrophobicContact CG1-CD1 3.9Å; I88-I155 HydrophobicContact CG1-CG2 4.28Å; I88-I155 HydrophobicContact CG2-CG2 4.43Å; V114-I155 HydrophobicContact CG1-CG2 4.07Å; F116-I155 HydrophobicContact CD1-CG1 4.3Å; F116-I155 HydrophobicContact CE1-CG1 4.45Å; F120-I155 HydrophobicContact CD1-CG1 4.22Å; F120-I155 HydrophobicContact CE1-CD1 4.41Å; F120-I155 HydrophobicContact CE1-CG1 3.97Å; F120-I155 HydrophobicContact CE2-CD1 4.27Å; F120-I155 HydrophobicContact CE2-CG1 4.42Å; F120-I155 HydrophobicContact CZ-CD1 4.03Å; F120-I155 HydrophobicContact CZ-CG1 4.08Å; I155-I157 HydrophobicContact CG2-CD1 3.72Å
156	F	98.9	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.4	174.4	-177.3	-103.6	0	0	0	110.7	Y70 L71 T72 V114 G115 H158 V232 I309 W349 F351	Y70-F156 HydrophobicContact CD1-CZ 4.07Å; Y70-F156 HydrophobicContact CG-CZ 4.49Å; L71-F156 CarbonylContact O-C 3.48Å; L71-F156 VanDerWaalsContact O-CA 3.26Å; L71-F156 WeakPolarHBondContact O-CA 3.42Å; L71-F156 WeakPolarHBondContact O-CD2 3.39Å; T72-F156 WeakPolarHBondContact OG1-CD2 3.47Å; V114-F156 CarbonylContact C-O 3.55Å; V114-F156 WeakPolarHBondContact CA-O 3.38Å; G115-F156 PolarHBondContact N-O 3.28Å; G115-F156 PolarHBondContact O-N 3.1Å; F156-H158 HydrophobicContact CE1-CB 3.9Å; F156-V232 HydrophobicContact CD1-CG2 4.14Å; F156-V232 HydrophobicContact CE1-CG1 4.47Å; F156-V232 HydrophobicContact CE1-CG2 3.58Å; F156-V232 HydrophobicContact CE2-CG1 3.89Å; F156-V232 HydrophobicContact CE2-CG2 4.3Å; F156-V232 HydrophobicContact CZ-CB 4.29Å; F156-V232 HydrophobicContact CZ-CG1 3.71Å; F156-V232 HydrophobicContact CZ-CG2 3.67Å; F156-I309 HydrophobicContact CE1-CD1 3.87Å; F156-I309 HydrophobicContact CZ-CD1 4.46Å; F156-W349 HydrophobicContact CB-CD2 3.52Å; F156-W349 HydrophobicContact CB-CE3 3.38Å; F156-W349 HydrophobicContact CB-CG 4.26Å; F156-W349 HydrophobicContact CB-CH2 3.7Å; F156-W349 HydrophobicContact CB-CZ2 3.84Å; F156-W349 HydrophobicContact CB-CZ3 3.49Å; F156-W349 VanDerWaalsContact CB-CZ3 3.49Å; F156-W349 HydrophobicContact CD2-CZ2 4.14Å; F156-W349 HydrophobicContact CG-CD2 4.09Å; F156-W349 AromaticContact CG-CE2 3.98Å; F156-W349 HydrophobicContact CG-CE3 4.41Å; F156-W349 HydrophobicContact CG-CZ2 4.2Å; F156-F351 HydrophobicContact CD1-CE2 4.16Å; F156-F351 AromaticContact CD1-CZ 3.67Å; F156-F351 HydrophobicContact CD1-CZ 3.67Å; F156-F351 HydrophobicContact CE1-CZ 4.08Å
157	I	98.9	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.7	174.3	-62.8	90.3	0	0	0	108.1	Y70 L71 I73 I91 G113 V114 I155 A159 I174	Y70-I157 WeakPolarHBondContact CA-O 3.39Å; L71-I157 HydrophobicContact CB-CB 4.17Å; L71-I157 HydrophobicContact CD2-CD1 4.06Å; L71-I157 HydrophobicContact CG-CD1 4.24Å; L71-I157 PolarHBondContact N-O 2.82Å; L71-I157 PolarHBondContact O-N 2.62Å; I73-I157 HydrophobicContact CD1-CD1 3.82Å; I91-I157 HydrophobicContact CD1-CG1 4.32Å; I91-I157 HydrophobicContact CD1-CG2 4.19Å; G113-I157 WeakPolarHBondContact O-CA 3.26Å; V114-I157 HydrophobicContact CG2-CG1 4.38Å; I155-I157 HydrophobicContact CG2-CD1 3.72Å; I157-A159 HydrophobicContact CG2-CB 4.29Å; I157-I174 HydrophobicContact CD1-CD1 4.37Å; I157-I174 HydrophobicContact CD1-CG2 4.34Å; I157-I174 HydrophobicContact CG1-CD1 4.1Å; I157-I174 HydrophobicContact CG2-CD1 4.26Å
158	H	98.9	Very high	98.2	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.6	165.1	178.8	-154.8	0	0	0	108.5	S59 L69 Y70 Y112 G113 F156 K160 Q293 I309 Y311 F351	S59-H158 VanDerWaalsContact CB-O 3.29Å; S59-H158 WeakPolarHBondContact CB-O 3.32Å; S59-H158 PolarHBondContact OG-O 2.93Å; L69-H158 VanDerWaalsContact O-CA 3.3Å; L69-H158 WeakPolarHBondContact O-CA 3.18Å; Y70-H158 AromaticContact CD1-CD2 3.64Å; Y70-H158 AromaticContact CE1-CD2 3.48Å; Y70-H158 VanDerWaalsContact CE1-CD2 3.48Å; Y70-H158 WeakPolarHBondContact CE1-CD2 3.29Å; Y70-H158 AromaticContact CE1-NE2 3.51Å; Y112-H158 CarbonylContact C-O 3.44Å; Y112-H158 VanDerWaalsContact CA-O 3.28Å; Y112-H158 WeakPolarHBondContact CA-O 3.32Å; G113-H158 PolarHBondContact N-O 2.78Å; G113-H158 PolarHBondContact O-N 2.87Å; F156-H158 HydrophobicContact CE1-CB 3.9Å; H158-K160 VanDerWaalsContact CE1-CE 3.41Å; H158-K160 WeakPolarHBondContact CE1-CE 3.43Å; H158-Q293 PolarHBondContact CE1-OE1 2.77Å; H158-Q293 VanDerWaalsContact CE1-OE1 3.26Å; H158-I309 HydrophobicContact CB-CD1 4.13Å; H158-Y311 AromaticContact ND1-CE2 3.79Å; H158-Y311 AromaticContact ND1-CZ 3.74Å; H158-Y311 PolarHBondContact ND1-OH 2.84Å; H158-F351 HydrophobicContact CB-CE1 4.3Å; H158-F351 HydrophobicContact CB-CZ 4.24Å
159	A	98.8	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.9	175.8	0	0	0	0	0	111.2	A68 L69 I110 L111 I157 L167 L170	A68-A159 CarbonylContact C-O 3.55Å; A68-A159 WeakPolarHBondContact CA-O 3.31Å; L69-A159 HydrophobicContact CB-CB 4.23Å; L69-A159 HydrophobicContact CD2-CB 4.49Å; L69-A159 PolarHBondContact N-O 2.93Å; L69-A159 PolarHBondContact O-N 3.33Å; I110-A159 HydrophobicContact CG2-CB 3.99Å; L111-A159 CarbonylContact O-C 3.57Å; L111-A159 VanDerWaalsContact O-CA 3.24Å; L111-A159 WeakPolarHBondContact O-CA 3.34Å; I157-A159 HydrophobicContact CG2-CB 4.29Å; A159-L167 HydrophobicContact CB-CD2 3.85Å; A159-L170 HydrophobicContact CB-CD2 3.82Å
160	K	98.2	Very high	98.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.8	-176.7	-51.2	171.9	-173.8	170.6	0	109.7	S59 S62 E63 K65 H67 A68 I110 L111 H158 Q293	S59-K160 PolarHBondContact O-NZ 2.97Å; S62-K160 PolarHBondContact O-NZ 2.92Å; S62-K160 VanDerWaalsContact O-NZ 3.09Å; S62-K160 PolarHBondContact OG-NZ 3.46Å; E63-K160 WeakPolarHBondContact O-CD 3.45Å; E63-K160 PolarHBondContact O-NZ 3.45Å; K65-K160 HydrophobicContact CB-CB 4.11Å; K65-K160 HydrophobicContact CD-CB 4.45Å; K65-K160 HydrophobicContact CG-CB 4.18Å; H67-K160 WeakPolarHBondContact O-CA 3.44Å; A68-K160 HydrophobicContact CB-CG 4.5Å; I110-K160 WeakPolarHBondContact CA-O 3.15Å; L111-K160 PolarHBondContact N-O 3.06Å; L111-K160 PolarHBondContact O-N 3.35Å; H158-K160 VanDerWaalsContact CE1-CE 3.41Å; H158-K160 WeakPolarHBondContact CE1-CE 3.43Å; K160-Q293 VanDerWaalsContact NZ-CD 3.34Å
161	C	97.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	155.5	176.4	-166	0	0	0	0	109.3	H67 E109 I110 E163 L167	H67-C161 WeakPolarHBondContact CA-O 3.44Å; H67-C161 WeakPolarHBondContact CB-O 3.3Å; H67-C161 PolarHBondContact N-O 3.34Å; H67-C161 PolarHBondContact O-N 2.98Å; H67-C161 VanDerWaalsContact O-O 3.1Å; E109-C161 PolarHBondContact O-SG 3.27Å; E109-C161 VanDerWaalsContact O-SG 3.33Å; I110-C161 HydrophobicContact CG1-CB 4.34Å; C161-E163 PolarHBondContact SG-N 3.46Å; C161-E163 VanDerWaalsContact SG-N 3.42Å; C161-L167 HydrophobicContact CB-CD1 4.29Å; C161-L167 HydrophobicContact CB-CD2 3.87Å; C161-L167 HydrophobicContact CB-CG 3.85Å
162	H	97.5	Very high	98.2	Very high	49 Å²	49	30.4 Å²	30.4	23%	0.227	16%	0.157	C	C	.	.	S	Bend	trans	-79.1	-12.8	167.9	-55.4	-85.7	0	0	0	112.3	K65 S66 H67 E106 E107	K65-H162 PolarHBondContact NZ-NE2 2.98Å; S66-H162 PolarHBondContact N-ND1 3.05Å; S66-H162 PolarHBondContact OG-ND1 3.29Å; H67-H162 PolarHBondContact CD2-O 3.22Å; H67-H162 VanDerWaalsContact CD2-O 3.25Å; E106-H162 PolarHBondContact O-CD2 2.89Å; E107-H162 VanDerWaalsContact O-CB 3.25Å; E107-H162 WeakPolarHBondContact O-CB 3.17Å; E107-H162 PolarHBondContact O-CD2 3.34Å; E107-H162 IonicContact OE2-CG 3.67Å
163	E	96	Very high	98.3	Very high	90 Å²	90	30.5 Å²	30.5	42%	0.421	16%	0.156	S	C	.	.			trans	-105	114	175.4	-66.5	-175	-113.2	0	0	111.7	D108 C161 G165 K166	D108-E163 WeakPolarHBondContact CB-OE1 3.2Å; C161-E163 PolarHBondContact SG-N 3.46Å; C161-E163 VanDerWaalsContact SG-N 3.42Å; E163-G165 VanDerWaalsContact C-N 3.3Å; E163-G165 PolarHBondContact O-N 2.9Å; E163-K166 HydrophobicContact CB-CB 4.41Å; E163-K166 HydrophobicContact CB-CD 4.22Å; E163-K166 HydrophobicContact CB-CG 4.04Å; E163-K166 PolarHBondContact O-N 2.65Å; E163-K166 WeakPolarHBondContact OE1-CE 3.3Å; E163-K166 IonicContact OE1-NZ 3.88Å
164	Y	96.5	Very high	98.3	Very high	108 Å²	108	29.9 Å²	29.9	42%	0.424	15%	0.149	S	C	.	.	H	α-helix	trans	-57.1	-42.7	176.6	-176.5	-78	0	0	0	112.5	K166 L167 F168 Y190	Y164-K166 VanDerWaalsContact C-N 3.29Å; Y164-K166 PolarHBondContact O-N 3.21Å; Y164-L167 WeakPolarHBondContact O-CB 3.23Å; Y164-L167 PolarHBondContact O-N 3.17Å; Y164-L167 VanDerWaalsContact O-N 3.11Å; Y164-F168 HydrophobicContact CE1-CB 4.46Å; Y164-F168 PolarHBondContact O-N 3.12Å; Y164-Y190 HydrophobicContact CE1-CD1 4.42Å; Y164-Y190 HydrophobicContact CE1-CG 4.44Å; Y164-Y190 HydrophobicContact CE2-CD1 4.05Å; Y164-Y190 HydrophobicContact CE2-CD2 4.35Å; Y164-Y190 AromaticContact CE2-CG 3.65Å; Y164-Y190 HydrophobicContact CE2-CG 3.65Å; Y164-Y190 AromaticContact CZ-CD1 3.91Å; Y164-Y190 AromaticContact CZ-CD2 3.86Å; Y164-Y190 AromaticContact CZ-CG 3.54Å; Y164-Y190 WeakPolarHBondContact OH-CD2 3.41Å; Y164-Y190 VanDerWaalsContact OH-CG 3.27Å
165	G	97.9	Very high	98.3	Very high	39 Å²	39	30.4 Å²	30.4	40%	0.402	15%	0.152	S	C	.	.	H	α-helix	trans	-57.9	-39.5	-175.9	0	0	0	0	0	113.2	E163 L167 F168 E169	E163-G165 VanDerWaalsContact C-N 3.3Å; E163-G165 PolarHBondContact O-N 2.9Å; G165-L167 VanDerWaalsContact C-N 3.32Å; G165-L167 PolarHBondContact O-N 3.03Å; G165-F168 WeakPolarHBondContact O-CB 3.28Å; G165-F168 PolarHBondContact O-N 2.98Å; G165-F168 VanDerWaalsContact O-N 3.15Å; G165-E169 WeakPolarHBondContact O-CG 3.29Å; G165-E169 PolarHBondContact O-N 3.31Å
166	K	97.8	Very high	98.3	Very high	21 Å²	21	36.3 Å²	36.3	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-34.9	178.3	-68.3	-167.9	178.6	-167.4	0	113.3	I98 D108 I110 E163 Y164 E169 L170	I98-K166 HydrophobicContact CG2-CB 3.89Å; I98-K166 HydrophobicContact CG2-CD 4.14Å; I98-K166 HydrophobicContact CG2-CG 3.83Å; D108-K166 WeakPolarHBondContact O-CD 3.45Å; D108-K166 PolarHBondContact O-NZ 2.92Å; D108-K166 IonicContact OD2-NZ 3.61Å; D108-K166 PolarHBondContact OD2-NZ 2.92Å; I110-K166 HydrophobicContact CD1-CB 4.13Å; I110-K166 HydrophobicContact CG1-CB 4.32Å; E163-K166 HydrophobicContact CB-CB 4.41Å; E163-K166 HydrophobicContact CB-CD 4.22Å; E163-K166 HydrophobicContact CB-CG 4.04Å; E163-K166 PolarHBondContact O-N 2.65Å; E163-K166 WeakPolarHBondContact OE1-CE 3.3Å; E163-K166 IonicContact OE1-NZ 3.88Å; Y164-K166 VanDerWaalsContact C-N 3.29Å; Y164-K166 PolarHBondContact O-N 3.21Å; K166-E169 PolarHBondContact O-N 2.84Å; K166-L170 WeakPolarHBondContact O-CB 3.3Å; K166-L170 PolarHBondContact O-N 2.93Å
167	L	98.7	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.7	-39.9	174.1	-64.9	177.1	0	0	0	111.1	H67 L69 I110 A159 C161 Y164 G165 L170 T171 Y190	H67-L167 HydrophobicContact CB-CD1 3.65Å; L69-L167 HydrophobicContact CB-CB 4.15Å; L69-L167 HydrophobicContact CB-CD1 4.38Å; L69-L167 HydrophobicContact CB-CD2 4.09Å; L69-L167 HydrophobicContact CB-CG 4.44Å; I110-L167 HydrophobicContact CG2-CD2 4.31Å; A159-L167 HydrophobicContact CB-CD2 3.85Å; C161-L167 HydrophobicContact CB-CD1 4.29Å; C161-L167 HydrophobicContact CB-CD2 3.87Å; C161-L167 HydrophobicContact CB-CG 3.85Å; Y164-L167 WeakPolarHBondContact O-CB 3.23Å; Y164-L167 PolarHBondContact O-N 3.17Å; Y164-L167 VanDerWaalsContact O-N 3.11Å; G165-L167 VanDerWaalsContact C-N 3.32Å; G165-L167 PolarHBondContact O-N 3.03Å; L167-L170 PolarHBondContact O-N 2.98Å; L167-T171 PolarHBondContact O-N 3.36Å; L167-T171 PolarHBondContact O-OG1 3.04Å; L167-T171 VanDerWaalsContact O-OG1 3.12Å; L167-Y190 HydrophobicContact CB-CD1 4.22Å; L167-Y190 HydrophobicContact CB-CE1 4.15Å
168	F	98.7	Very high	98.3	Very high	90 Å²	90	40.6 Å²	40.6	40%	0.395	21%	0.206	S	C	.	.	H	α-helix	trans	-64.8	-42.2	174.8	-175	-93.8	0	0	0	112.1	Y164 G165 L170 T171 Q172 Y190	Y164-F168 HydrophobicContact CE1-CB 4.46Å; Y164-F168 PolarHBondContact O-N 3.12Å; G165-F168 WeakPolarHBondContact O-CB 3.28Å; G165-F168 PolarHBondContact O-N 2.98Å; G165-F168 VanDerWaalsContact O-N 3.15Å; F168-L170 VanDerWaalsContact C-N 3.34Å; F168-L170 PolarHBondContact O-N 3.44Å; F168-T171 WeakPolarHBondContact O-CB 3.45Å; F168-T171 PolarHBondContact O-N 3.08Å; F168-Q172 HydrophobicContact CD1-CG 4.4Å; F168-Q172 VanDerWaalsContact CD1-NE2 3.28Å; F168-Q172 HydrophobicContact CE1-CG 4.07Å; F168-Q172 VanDerWaalsContact CE1-NE2 3.25Å; F168-Q172 WeakPolarHBondContact O-CG 3.42Å; F168-Q172 PolarHBondContact O-N 3.08Å; F168-Y190 HydrophobicContact CB-CE1 4.31Å; F168-Y190 HydrophobicContact CD2-CE2 4.39Å; F168-Y190 AromaticContact CD2-CZ 3.92Å; F168-Y190 WeakPolarHBondContact CD2-OH 3.34Å
169	E	98.7	Very high	98.2	Very high	95 Å²	95	42.1 Å²	42.1	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-40	172.5	-72.2	179.9	-178	0	0	112.3	I98 G165 K166 Q172 A173	I98-E169 HydrophobicContact CD1-CB 3.85Å; I98-E169 HydrophobicContact CG1-CB 4.06Å; I98-E169 HydrophobicContact CG2-CB 4.47Å; G165-E169 WeakPolarHBondContact O-CG 3.29Å; G165-E169 PolarHBondContact O-N 3.31Å; K166-E169 PolarHBondContact O-N 2.84Å; E169-Q172 PolarHBondContact O-N 2.57Å; E169-A173 WeakPolarHBondContact O-CB 3.34Å; E169-A173 PolarHBondContact O-N 2.77Å
170	L	98.8	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-43.9	175.6	179.5	60.5	0	0	0	111.5	I91 V95 I98 I110 A159 K166 L167 F168 Q172 A173 I174	I91-L170 HydrophobicContact CG1-CD1 4.23Å; V95-L170 HydrophobicContact CG2-CD1 3.79Å; V95-L170 HydrophobicContact CG2-CD2 4.15Å; I98-L170 HydrophobicContact CD1-CB 3.92Å; I98-L170 HydrophobicContact CD1-CD1 4.39Å; I110-L170 HydrophobicContact CG2-CD2 3.89Å; A159-L170 HydrophobicContact CB-CD2 3.82Å; K166-L170 WeakPolarHBondContact O-CB 3.3Å; K166-L170 PolarHBondContact O-N 2.93Å; L167-L170 PolarHBondContact O-N 2.98Å; F168-L170 VanDerWaalsContact C-N 3.34Å; F168-L170 PolarHBondContact O-N 3.44Å; L170-Q172 VanDerWaalsContact C-N 3.34Å; L170-Q172 PolarHBondContact O-N 3.46Å; L170-A173 PolarHBondContact O-N 2.86Å; L170-I174 HydrophobicContact CD1-CD1 3.85Å; L170-I174 HydrophobicContact CD1-CG1 4.08Å; L170-I174 HydrophobicContact CD2-CD1 4.45Å; L170-I174 HydrophobicContact CG-CD1 3.77Å; L170-I174 HydrophobicContact CG-CG1 4.42Å; L170-I174 VanDerWaalsContact O-CG1 3.3Å; L170-I174 WeakPolarHBondContact O-CG1 3.16Å; L170-I174 PolarHBondContact O-N 3.01Å
171	T	98.8	Very high	98.1	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-55.7	-49.4	173.7	-58.8	0	0	0	0	110.9	L69 L71 L167 F168 A173 I174 I175 D188 Y190	L69-T171 VanDerWaalsContact CD1-OG1 3.28Å; L69-T171 WeakPolarHBondContact CD1-OG1 3.27Å; L69-T171 VanDerWaalsContact CD2-OG1 3.22Å; L69-T171 WeakPolarHBondContact CD2-OG1 3.09Å; L71-T171 HydrophobicContact CD1-CG2 4.38Å; L71-T171 HydrophobicContact CD2-CG2 4.21Å; L167-T171 PolarHBondContact O-N 3.36Å; L167-T171 PolarHBondContact O-OG1 3.04Å; L167-T171 VanDerWaalsContact O-OG1 3.12Å; F168-T171 WeakPolarHBondContact O-CB 3.45Å; F168-T171 PolarHBondContact O-N 3.08Å; T171-A173 PolarHBondContact O-N 3.38Å; T171-I174 PolarHBondContact O-N 2.85Å; T171-I175 HydrophobicContact CG2-CG1 4.35Å; T171-I175 WeakPolarHBondContact O-CG1 3.48Å; T171-I175 PolarHBondContact O-N 2.92Å; T171-D188 HydrophobicContact CG2-CB 3.87Å; T171-Y190 WeakPolarHBondContact CB-OH 3.46Å; T171-Y190 PolarHBondContact OG1-OH 2.85Å
172	Q	98.7	Very high	98.2	Very high	87 Å²	87	51.7 Å²	51.7	41%	0.407	29%	0.293	S	S	.	.	H	α-helix	trans	-59.4	-46.2	178	-71.3	177.9	98.3	0	0	111.7	F168 E169 L170 I174 I175 N176	F168-Q172 HydrophobicContact CD1-CG 4.4Å; F168-Q172 VanDerWaalsContact CD1-NE2 3.28Å; F168-Q172 HydrophobicContact CE1-CG 4.07Å; F168-Q172 VanDerWaalsContact CE1-NE2 3.25Å; F168-Q172 WeakPolarHBondContact O-CG 3.42Å; F168-Q172 PolarHBondContact O-N 3.08Å; E169-Q172 PolarHBondContact O-N 2.57Å; L170-Q172 VanDerWaalsContact C-N 3.34Å; L170-Q172 PolarHBondContact O-N 3.46Å; Q172-I174 PolarHBondContact O-N 3.42Å; Q172-I175 PolarHBondContact O-N 3.12Å; Q172-N176 WeakPolarHBondContact O-CB 3.21Å; Q172-N176 PolarHBondContact O-N 2.94Å; Q172-N176 PolarHBondContact O-ND2 2.75Å
173	A	98.7	Very high	98.2	Very high	21 Å²	21	51.2 Å²	51.2	17%	0.174	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-42.8	179.9	0	0	0	0	0	111.9	Y94 E169 L170 T171 N177	Y94-A173 HydrophobicContact CD1-CB 4.3Å; Y94-A173 HydrophobicContact CD2-CB 4.38Å; Y94-A173 HydrophobicContact CG-CB 3.92Å; E169-A173 WeakPolarHBondContact O-CB 3.34Å; E169-A173 PolarHBondContact O-N 2.77Å; L170-A173 PolarHBondContact O-N 2.86Å; T171-A173 PolarHBondContact O-N 3.38Å; A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 2.7Å; A173-N177 PolarHBondContact O-ND2 2.67Å
174	I	98.8	Very high	98.3	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-54.5	177.7	-69.6	165.4	0	0	0	110.7	L71 I73 I88 I91 Y94 I157 L170 T171 Q172 N176 N177 L178	L71-I174 HydrophobicContact CD2-CB 4.4Å; L71-I174 HydrophobicContact CD2-CD1 4.24Å; L71-I174 HydrophobicContact CD2-CG2 4.09Å; I73-I174 HydrophobicContact CD1-CG2 3.95Å; I88-I174 HydrophobicContact CD1-CG2 3.67Å; I91-I174 HydrophobicContact CD1-CD1 3.88Å; I91-I174 HydrophobicContact CD1-CG1 4.49Å; I91-I174 HydrophobicContact CG1-CD1 4.38Å; Y94-I174 HydrophobicContact CD2-CG1 4.17Å; I157-I174 HydrophobicContact CD1-CD1 4.37Å; I157-I174 HydrophobicContact CD1-CG2 4.34Å; I157-I174 HydrophobicContact CG1-CD1 4.1Å; I157-I174 HydrophobicContact CG2-CD1 4.26Å; L170-I174 HydrophobicContact CD1-CD1 3.85Å; L170-I174 HydrophobicContact CD1-CG1 4.08Å; L170-I174 HydrophobicContact CD2-CD1 4.45Å; L170-I174 HydrophobicContact CG-CD1 3.77Å; L170-I174 HydrophobicContact CG-CG1 4.42Å; L170-I174 VanDerWaalsContact O-CG1 3.3Å; L170-I174 WeakPolarHBondContact O-CG1 3.16Å; L170-I174 PolarHBondContact O-N 3.01Å; T171-I174 PolarHBondContact O-N 2.85Å; Q172-I174 PolarHBondContact O-N 3.42Å; I174-N176 PolarHBondContact O-N 3.43Å; I174-N177 PolarHBondContact O-N 3.19Å; I174-L178 PolarHBondContact O-N 2.66Å
175	I	98.8	Very high	98.4	Very high	29 Å²	29	51.9 Å²	51.9	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-65.8	-42.2	-173.7	-64.7	-59	0	0	0	111.4	L71 I73 T171 Q172 N177 L178 F186	L71-I175 HydrophobicContact CD1-CD1 4.34Å; L71-I175 HydrophobicContact CD2-CD1 4.37Å; I73-I175 HydrophobicContact CD1-CD1 3.88Å; I73-I175 HydrophobicContact CG1-CD1 4.13Å; T171-I175 HydrophobicContact CG2-CG1 4.35Å; T171-I175 WeakPolarHBondContact O-CG1 3.48Å; T171-I175 PolarHBondContact O-N 2.92Å; Q172-I175 PolarHBondContact O-N 3.12Å; I175-N177 PolarHBondContact O-N 3.49Å; I175-L178 HydrophobicContact CD1-CD1 4.37Å; I175-L178 PolarHBondContact O-N 3.33Å; I175-F186 HydrophobicContact CD1-CB 3.98Å; I175-F186 HydrophobicContact CD1-CD1 3.86Å; I175-F186 HydrophobicContact CD1-CD2 4.14Å; I175-F186 HydrophobicContact CD1-CE1 4.4Å; I175-F186 HydrophobicContact CD1-CG 3.72Å; I175-F186 HydrophobicContact CG1-CD1 4.24Å; I175-F186 HydrophobicContact CG1-CD2 4.26Å; I175-F186 HydrophobicContact CG1-CE1 4.29Å; I175-F186 HydrophobicContact CG1-CE2 4.31Å; I175-F186 HydrophobicContact CG1-CG 4.22Å; I175-F186 HydrophobicContact CG1-CZ 4.32Å; I175-F186 HydrophobicContact CG2-CD1 4.19Å; I175-F186 HydrophobicContact CG2-CE1 3.84Å; I175-F186 HydrophobicContact CG2-CZ 4.33Å
176	N	98.4	Very high	98.5	Very high	123 Å²	123	54.3 Å²	54.3	66%	0.658	30%	0.304	S	S	*	.	H	α-helix	trans	-72.8	-14.9	-177.7	-67.2	-20.5	0	0	0	113.9	Q172 I174	Q172-N176 WeakPolarHBondContact O-CB 3.21Å; Q172-N176 PolarHBondContact O-N 2.94Å; Q172-N176 PolarHBondContact O-ND2 2.75Å; I174-N176 PolarHBondContact O-N 3.43Å
177	N	98.4	Very high	98.5	Very high	78 Å²	78	56.5 Å²	56.5	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-107	0	178.7	-73	-93.9	0	0	0	113.8	S87 Y94 A173 I174 I175	S87-N177 VanDerWaalsContact CB-O 3.27Å; S87-N177 WeakPolarHBondContact CB-O 3.35Å; S87-N177 PolarHBondContact OG-O 3.37Å; Y94-N177 HydrophobicContact CE1-CB 4.15Å; Y94-N177 HydrophobicContact CE2-CB 4.34Å; Y94-N177 WeakPolarHBondContact OH-CB 3.41Å; A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 2.7Å; A173-N177 PolarHBondContact O-ND2 2.67Å; I174-N177 PolarHBondContact O-N 3.19Å; I175-N177 PolarHBondContact O-N 3.49Å
178	L	98.6	Very high	98.5	Very high	12 Å²	12	59 Å²	59	6%	0.063	33%	0.329	C	S	.	.	S	Bend	trans	-67.5	149.9	164.3	-79.4	168.2	0	0	0	109.9	I73 C84 I88 I174 I175 S180 V183	I73-L178 HydrophobicContact CD1-CD1 3.97Å; I73-L178 HydrophobicContact CG2-CD1 4.14Å; C84-L178 HydrophobicContact CB-CD2 4.14Å; I88-L178 HydrophobicContact CD1-CD1 4.39Å; I88-L178 HydrophobicContact CD1-CD2 3.84Å; I88-L178 HydrophobicContact CD1-CG 4.22Å; I88-L178 HydrophobicContact CG1-CD2 3.98Å; I174-L178 PolarHBondContact O-N 2.66Å; I175-L178 HydrophobicContact CD1-CD1 4.37Å; I175-L178 PolarHBondContact O-N 3.33Å; L178-S180 PolarHBondContact O-N 3.42Å; L178-V183 HydrophobicContact CB-CG2 4.16Å; L178-V183 HydrophobicContact CD1-CG2 3.52Å; L178-V183 HydrophobicContact CG-CG2 4.45Å
179	P	98.4	Very high	98.5	Very high	33 Å²	33	55.4 Å²	55.4	21%	0.214	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-53.6	138.8	179.5	-24.2	32.7	0	0	0	111.5	E83 G181 S182	E83-P179 HydrophobicContact CB-CG 3.81Å; P179-G181 PolarHBondContact O-N 3.09Å; P179-S182 WeakPolarHBondContact CD-OG 3.21Å; P179-S182 WeakPolarHBondContact O-CB 3.36Å; P179-S182 PolarHBondContact O-N 3.36Å; P179-S182 PolarHBondContact O-OG 3.49Å
180	S	97.7	Very high	98.5	Very high	134 Å²	134	52 Å²	52	94%	0.937	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	133	-177.9	-168.6	0	0	0	0	111	L178 S182	L178-S180 PolarHBondContact O-N 3.42Å; S180-S182 PolarHBondContact O-N 2.8Å
181	G	97.1	Very high	98.5	Very high	64 Å²	64	52 Å²	52	66%	0.66	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	0.7	-176.9	0	0	0	0	0	115.3	P179 V183	P179-G181 PolarHBondContact O-N 3.09Å; G181-V183 PolarHBondContact O-N 2.86Å
182	S	98.6	Very high	98.5	Very high	5 Å²	5	55.4 Å²	55.4	4%	0.035	31%	0.309	C	S	.	.			trans	-77.9	-15.2	-179	66	0	0	0	0	114.9	L75 D76 P179 S180	L75-S182 CarbonylContact C-O 3.44Å; L75-S182 WeakPolarHBondContact CA-O 3.37Å; L75-S182 WeakPolarHBondContact CB-O 3.38Å; L75-S182 WeakPolarHBondContact CD2-O 3.02Å; D76-S182 PolarHBondContact N-O 3.28Å; P179-S182 WeakPolarHBondContact CD-OG 3.21Å; P179-S182 WeakPolarHBondContact O-CB 3.36Å; P179-S182 PolarHBondContact O-N 3.36Å; P179-S182 PolarHBondContact O-OG 3.49Å; S180-S182 PolarHBondContact O-N 2.8Å
183	V	98.7	Very high	98.4	Very high	40 Å²	40	54 Å²	54	24%	0.242	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.4	-177.3	179.3	0	0	0	0	109.3	I73 L75 L178 G181 F186	I73-V183 HydrophobicContact CG2-CG1 4.17Å; I73-V183 HydrophobicContact CG2-CG2 4.06Å; L75-V183 HydrophobicContact CD2-CG2 4.32Å; L178-V183 HydrophobicContact CB-CG2 4.16Å; L178-V183 HydrophobicContact CD1-CG2 3.52Å; L178-V183 HydrophobicContact CG-CG2 4.45Å; G181-V183 PolarHBondContact O-N 2.86Å; V183-F186 HydrophobicContact CG1-CB 4.34Å; V183-F186 HydrophobicContact CG1-CD1 4.18Å
184	T	98.5	Very high	98.3	Very high	87 Å²	87	56.4 Å²	56.4	53%	0.534	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-42.8	172	-58.2	0	0	0	0	111	H74 L75 D76	H74-T184 PolarHBondContact O-N 2.9Å; L75-T184 PolarHBondContact O-OG1 3.49Å; D76-T184 WeakPolarHBondContact CA-OG1 3.41Å; D76-T184 PolarHBondContact N-OG1 3.09Å
185	K	98.5	Very high	98.1	Very high	124 Å²	124	65 Å²	65	54%	0.539	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	156	173.8	63.3	176.1	-174.1	176.9	0	110.3	H74	H74-K185 HydrophobicContact CB-CG 3.75Å; H74-K185 WeakPolarHBondContact CB-O 3.32Å; H74-K185 WeakPolarHBondContact CD2-CE 3.19Å; H74-K185 PolarHBondContact N-O 3.45Å; H74-K185 WeakPolarHBondContact NE2-CE 3.44Å; H74-K185 PolarHBondContact O-N 2.86Å
186	F	98.6	Very high	97.7	Very high	90 Å²	90	68.3 Å²	68.3	40%	0.395	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161	164.9	69.8	-88.2	0	0	0	109.7	L71 T72 I73 I175 V183	L71-F186 HydrophobicContact CD1-CB 4.1Å; L71-F186 HydrophobicContact CD1-CD2 3.74Å; L71-F186 HydrophobicContact CD1-CG 4.3Å; T72-F186 CarbonylContact O-C 3.54Å; T72-F186 WeakPolarHBondContact O-CA 3.27Å; T72-F186 WeakPolarHBondContact O-CB 3.41Å; I73-F186 HydrophobicContact CG1-CB 4.23Å; I175-F186 HydrophobicContact CD1-CB 3.98Å; I175-F186 HydrophobicContact CD1-CD1 3.86Å; I175-F186 HydrophobicContact CD1-CD2 4.14Å; I175-F186 HydrophobicContact CD1-CE1 4.4Å; I175-F186 HydrophobicContact CD1-CG 3.72Å; I175-F186 HydrophobicContact CG1-CD1 4.24Å; I175-F186 HydrophobicContact CG1-CD2 4.26Å; I175-F186 HydrophobicContact CG1-CE1 4.29Å; I175-F186 HydrophobicContact CG1-CE2 4.31Å; I175-F186 HydrophobicContact CG1-CG 4.22Å; I175-F186 HydrophobicContact CG1-CZ 4.32Å; I175-F186 HydrophobicContact CG2-CD1 4.19Å; I175-F186 HydrophobicContact CG2-CE1 3.84Å; I175-F186 HydrophobicContact CG2-CZ 4.33Å; V183-F186 HydrophobicContact CG1-CB 4.34Å; V183-F186 HydrophobicContact CG1-CD1 4.18Å
187	E	98.7	Very high	97.5	Very high	67 Å²	67	64 Å²	64	31%	0.313	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	117.8	171.4	-173.1	-179.5	-144.1	0	0	108.2	L71 T72 I189 K234	L71-E187 WeakPolarHBondContact CA-O 3.36Å; T72-E187 PolarHBondContact N-O 2.82Å; T72-E187 PolarHBondContact O-N 3.05Å; E187-I189 HydrophobicContact CG-CD1 4.15Å; E187-I189 HydrophobicContact CG-CG1 4.02Å; E187-K234 IonicContact OE1-NZ 2.91Å; E187-K234 PolarHBondContact OE1-NZ 2.88Å
188	D	98.6	Very high	97.4	Very high	54 Å²	54	61.5 Å²	61.5	29%	0.289	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.5	173	60	-34.4	0	0	0	110.2	L69 L71 T171 Y190	L69-D188 HydrophobicContact CD1-CB 4.13Å; L71-D188 HydrophobicContact CD1-CB 4.11Å; T171-D188 HydrophobicContact CG2-CB 3.87Å; D188-Y190 HydrophobicContact CB-CE2 3.99Å; D188-Y190 WeakPolarHBondContact OD2-CE2 3.26Å; D188-Y190 PolarHBondContact OD2-OH 3.17Å
189	I	98.8	Very high	97.3	Very high	13 Å²	13	61.5 Å²	61.5	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.4	174.5	-66.6	171.9	0	0	0	108.3	Y70 E187 K234 Y297 L307	Y70-I189 HydrophobicContact CD2-CG2 4.24Å; Y70-I189 WeakPolarHBondContact CD2-O 3.36Å; Y70-I189 PolarHBondContact N-O 3.44Å; Y70-I189 PolarHBondContact O-N 3.43Å; E187-I189 HydrophobicContact CG-CD1 4.15Å; E187-I189 HydrophobicContact CG-CG1 4.02Å; I189-K234 HydrophobicContact CD1-CD 3.71Å; I189-K234 HydrophobicContact CD1-CG 4.22Å; I189-Y297 HydrophobicContact CG2-CD1 4.31Å; I189-Y297 HydrophobicContact CG2-CD2 3.78Å; I189-Y297 HydrophobicContact CG2-CG 3.58Å; I189-L307 HydrophobicContact CD1-CD1 3.63Å; I189-L307 HydrophobicContact CG2-CB 4.38Å; I189-L307 HydrophobicContact CG2-CD1 4.35Å
190	Y	98.7	Very high	97.3	Very high	23 Å²	23	61.1 Å²	61.1	9%	0.09	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.1	175.7	-56	-90.2	0	0	0	109.9	A68 L69 Y164 L167 F168 T171 D188	A68-Y190 CarbonylContact O-C 3.53Å; A68-Y190 VanDerWaalsContact O-CA 3.28Å; A68-Y190 WeakPolarHBondContact O-CA 3.38Å; L69-Y190 HydrophobicContact CD1-CD1 4.1Å; L69-Y190 HydrophobicContact CD1-CE1 3.65Å; Y164-Y190 HydrophobicContact CE1-CD1 4.42Å; Y164-Y190 HydrophobicContact CE1-CG 4.44Å; Y164-Y190 HydrophobicContact CE2-CD1 4.05Å; Y164-Y190 HydrophobicContact CE2-CD2 4.35Å; Y164-Y190 AromaticContact CE2-CG 3.65Å; Y164-Y190 HydrophobicContact CE2-CG 3.65Å; Y164-Y190 AromaticContact CZ-CD1 3.91Å; Y164-Y190 AromaticContact CZ-CD2 3.86Å; Y164-Y190 AromaticContact CZ-CG 3.54Å; Y164-Y190 WeakPolarHBondContact OH-CD2 3.41Å; Y164-Y190 VanDerWaalsContact OH-CG 3.27Å; L167-Y190 HydrophobicContact CB-CD1 4.22Å; L167-Y190 HydrophobicContact CB-CE1 4.15Å; F168-Y190 HydrophobicContact CB-CE1 4.31Å; F168-Y190 HydrophobicContact CD2-CE2 4.39Å; F168-Y190 AromaticContact CD2-CZ 3.92Å; F168-Y190 WeakPolarHBondContact CD2-OH 3.34Å; T171-Y190 WeakPolarHBondContact CB-OH 3.46Å; T171-Y190 PolarHBondContact OG1-OH 2.85Å; D188-Y190 HydrophobicContact CB-CE2 3.99Å; D188-Y190 WeakPolarHBondContact OD2-CE2 3.26Å; D188-Y190 PolarHBondContact OD2-OH 3.17Å
191	G	98.6	Very high	97.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	159.3	175.4	0	0	0	0	0	112.9	H67 A68 Q295 P296	H67-G191 VanDerWaalsContact CA-O 3.25Å; H67-G191 WeakPolarHBondContact CA-O 3.5Å; H67-G191 WeakPolarHBondContact CB-O 3.14Å; H67-G191 PolarHBondContact ND1-O 3.33Å; A68-G191 PolarHBondContact N-O 2.79Å; A68-G191 PolarHBondContact O-N 3.37Å; G191-Q295 VanDerWaalsContact C-OE1 3.3Å; G191-P296 WeakPolarHBondContact CA-O 3.49Å
192	W	98.2	Very high	97.3	Very high	77 Å²	77	53 Å²	53	29%	0.292	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.4	169.1	67.9	91.8	0	0	0	112.2	S66 Y194 L200 P296 Y297 G298	S66-W192 CarbonylContact O-C 3.53Å; S66-W192 VanDerWaalsContact O-CA 3.26Å; S66-W192 WeakPolarHBondContact O-CA 3.4Å; W192-Y194 PolarHBondContact O-N 2.89Å; W192-L200 HydrophobicContact CZ2-CD1 4.46Å; W192-L200 HydrophobicContact CZ2-CD2 4.24Å; W192-P296 HydrophobicContact CD2-CB 4.37Å; W192-P296 HydrophobicContact CZ2-CB 4.01Å; W192-P296 PolarHBondContact N-O 3.26Å; W192-P296 VanDerWaalsContact N-O 3.13Å; W192-P296 WeakPolarHBondContact O-CD 3.26Å; W192-Y297 VanDerWaalsContact CZ3-C 3.44Å; W192-G298 VanDerWaalsContact CH2-O 3.3Å; W192-G298 WeakPolarHBondContact CH2-O 3.25Å
193	V	97.5	Very high	97.3	Very high	58 Å²	58	53.2 Å²	53.2	35%	0.352	26%	0.263	S	S	.	.			trans	-71.8	116.4	169.8	178.2	0	0	0	0	109.5	K65 S66	K65-V193 WeakPolarHBondContact O-CG2 3.36Å; S66-V193 PolarHBondContact O-N 2.98Å
194	Y	96.6	Very high	97.2	Very high	72 Å²	72	53.4 Å²	53.4	28%	0.282	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-96.7	120.3	174.7	177.2	-114.8	0	0	0	110.9	W192 N196 G197 R198 L200	W192-Y194 PolarHBondContact O-N 2.89Å; Y194-N196 PolarHBondContact O-N 2.91Å; Y194-G197 PolarHBondContact O-N 2.91Å; Y194-R198 WeakPolarHBondContact CB-O 3.35Å; Y194-R198 HydrophobicContact CD1-CB 3.99Å; Y194-R198 PolarHBondContact O-N 3.04Å; Y194-L200 HydrophobicContact CD1-CD2 4.05Å; Y194-L200 HydrophobicContact CD2-CD2 4.26Å; Y194-L200 HydrophobicContact CE1-CD2 4.39Å; Y194-L200 HydrophobicContact CG-CD2 3.99Å
195	R	94.6	Very high	96.8	Very high	183 Å²	183	51 Å²	51	69%	0.691	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	-128	-175.9	-58.3	179.8	176.1	-90.5	0.6	110.2	G197	R195-G197 VanDerWaalsContact C-N 3.35Å; R195-G197 PolarHBondContact O-N 3.05Å
196	N	90.7	Very high	96.3	Very high	98 Å²	98	46.1 Å²	46.1	52%	0.524	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	52	-179.6	63.3	-49.7	0	0	0	112	Y194 R198	Y194-N196 PolarHBondContact O-N 2.91Å; N196-R198 WeakPolarHBondContact OD1-CD 3.36Å; N196-R198 PolarHBondContact OD1-NE 2.92Å
197	G	92.8	Very high	95.9	Very high	33 Å²	33	44.3 Å²	44.3	34%	0.34	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	33.1	-179.7	0	0	0	0	0	114	Y194 R195 D205	Y194-G197 PolarHBondContact O-N 2.91Å; R195-G197 VanDerWaalsContact C-N 3.35Å; R195-G197 PolarHBondContact O-N 3.05Å; G197-D205 PolarHBondContact O-N 2.99Å
198	R	97.1	Very high	95.4	Very high	24 Å²	24	46.1 Å²	46.1	9%	0.091	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-90.6	150.5	-179.9	-69.7	177.8	179.5	-80.8	-1	111.8	Y194 N196 G202 F203 I204 L258 K259 P296	Y194-R198 WeakPolarHBondContact CB-O 3.35Å; Y194-R198 HydrophobicContact CD1-CB 3.99Å; Y194-R198 PolarHBondContact O-N 3.04Å; N196-R198 WeakPolarHBondContact OD1-CD 3.36Å; N196-R198 PolarHBondContact OD1-NE 2.92Å; R198-G202 VanDerWaalsContact CD-O 3.29Å; R198-G202 WeakPolarHBondContact CD-O 3.29Å; R198-G202 PolarHBondContact NH1-O 2.84Å; R198-F203 CarbonylContact C-O 3.45Å; R198-F203 WeakPolarHBondContact CA-O 3.36Å; R198-F203 WeakPolarHBondContact CB-O 3.39Å; R198-I204 HydrophobicContact CG-CG1 3.91Å; R198-L258 PolarHBondContact NH1-O 2.87Å; R198-L258 PolarHBondContact NH2-O 2.79Å; R198-K259 PolarHBondContact NH2-O 2.88Å; R198-P296 WeakPolarHBondContact O-CG 3.25Å
199	D	97	Very high	95.2	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.07	23%	0.231	C	C	.	.			trans	-72.6	163.3	159.6	171.7	50.8	0	0	0	110.9	S201 G202 F203 H237 L306	D199-S201 PolarHBondContact O-N 2.97Å; D199-S201 WeakPolarHBondContact OD2-CB 3.44Å; D199-S201 PolarHBondContact OD2-N 3.31Å; D199-S201 PolarHBondContact OD2-OG 3.42Å; D199-G202 WeakPolarHBondContact O-CA 3.38Å; D199-G202 PolarHBondContact O-N 2.97Å; D199-F203 PolarHBondContact N-O 3.37Å; D199-H237 VanDerWaalsContact CG-NE2 3.28Å; D199-H237 IonicContact OD1-CD2 3.77Å; D199-H237 IonicContact OD1-CE1 2.93Å; D199-H237 IonicContact OD1-NE2 3.9Å; D199-H237 PolarHBondContact OD1-NE2 2.93Å; D199-H237 IonicContact OD2-CD2 2.89Å; D199-H237 IonicContact OD2-CE1 3.27Å; D199-H237 IonicContact OD2-NE2 2.63Å; D199-H237 PolarHBondContact OD2-NE2 2.69Å; D199-L306 HydrophobicContact CB-CD1 4.38Å
200	L	98.2	Very high	94.9	Very high	25 Å²	25	45 Å²	45	13%	0.131	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.1	177.4	-61.5	-176.2	0	0	0	113.6	W192 Y194 G202 M239 P296 A304	W192-L200 HydrophobicContact CZ2-CD1 4.46Å; W192-L200 HydrophobicContact CZ2-CD2 4.24Å; Y194-L200 HydrophobicContact CD1-CD2 4.05Å; Y194-L200 HydrophobicContact CD2-CD2 4.26Å; Y194-L200 HydrophobicContact CE1-CD2 4.39Å; Y194-L200 HydrophobicContact CG-CD2 3.99Å; L200-G202 PolarHBondContact O-N 2.9Å; L200-M239 HydrophobicContact CB-CE 4.21Å; L200-M239 HydrophobicContact CB-SD 4.44Å; L200-P296 HydrophobicContact CD1-CB 4.3Å; L200-P296 HydrophobicContact CD2-CB 3.9Å; L200-P296 HydrophobicContact CD2-CG 4.25Å; L200-P296 HydrophobicContact CG-CB 3.81Å; L200-P296 HydrophobicContact CG-CG 4.22Å; L200-A304 HydrophobicContact CD1-CB 3.93Å
201	S	97.4	Very high	94.4	Very high	8 Å²	8	47.3 Å²	47.3	6%	0.056	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.4	163.9	64.6	0	0	0	0	113.5	D199	D199-S201 PolarHBondContact O-N 2.97Å; D199-S201 WeakPolarHBondContact OD2-CB 3.44Å; D199-S201 PolarHBondContact OD2-N 3.31Å; D199-S201 PolarHBondContact OD2-OG 3.42Å
202	G	97.6	Very high	93.9	Very high	19 Å²	19	50.1 Å²	50.1	20%	0.196	27%	0.27	C	S	.	.	S	Bend	trans	92.3	-2	-177.5	0	0	0	0	0	113.8	R198 D199 L200 L258	R198-G202 VanDerWaalsContact CD-O 3.29Å; R198-G202 WeakPolarHBondContact CD-O 3.29Å; R198-G202 PolarHBondContact NH1-O 2.84Å; D199-G202 WeakPolarHBondContact O-CA 3.38Å; D199-G202 PolarHBondContact O-N 2.97Å; L200-G202 PolarHBondContact O-N 2.9Å; G202-L258 VanDerWaalsContact C-CD1 3.45Å; G202-L258 VanDerWaalsContact O-CD1 3.32Å; G202-L258 WeakPolarHBondContact O-CD1 3.4Å
203	F	98.2	Very high	93.4	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.039	28%	0.279	C	S	.	.	S	Bend	trans	-85.5	151.8	174.6	-69.4	-88.7	0	0	0	111.8	R198 D199 D205 K250 E251 I254 R256 L258	R198-F203 CarbonylContact C-O 3.45Å; R198-F203 WeakPolarHBondContact CA-O 3.36Å; R198-F203 WeakPolarHBondContact CB-O 3.39Å; D199-F203 PolarHBondContact N-O 3.37Å; F203-D205 PolarHBondContact O-N 3.12Å; F203-K250 HydrophobicContact CE2-CB 3.92Å; F203-K250 HydrophobicContact CZ-CB 3.88Å; F203-E251 HydrophobicContact CE1-CG 4.09Å; F203-E251 HydrophobicContact CZ-CG 4.14Å; F203-I254 HydrophobicContact CD1-CB 4.13Å; F203-I254 HydrophobicContact CD1-CG1 4.1Å; F203-I254 HydrophobicContact CD1-CG2 3.85Å; F203-I254 HydrophobicContact CD2-CD1 4.48Å; F203-I254 HydrophobicContact CD2-CG1 3.69Å; F203-I254 HydrophobicContact CE1-CB 4Å; F203-I254 HydrophobicContact CE1-CG1 4.02Å; F203-I254 HydrophobicContact CE1-CG2 4.19Å; F203-I254 HydrophobicContact CE2-CB 4.47Å; F203-I254 HydrophobicContact CE2-CG1 3.6Å; F203-I254 HydrophobicContact CG-CB 4.43Å; F203-I254 HydrophobicContact CG-CG1 3.94Å; F203-I254 HydrophobicContact CG-CG2 4.15Å; F203-I254 HydrophobicContact CZ-CB 4.18Å; F203-I254 HydrophobicContact CZ-CG1 3.77Å; F203-R256 WeakPolarHBondContact CE1-O 3.22Å; F203-L258 HydrophobicContact CD1-CD1 3.98Å; F203-L258 HydrophobicContact CD2-CD1 3.77Å; F203-L258 HydrophobicContact CE1-CB 3.92Å; F203-L258 HydrophobicContact CE1-CD1 3.89Å; F203-L258 HydrophobicContact CE2-CD1 3.68Å; F203-L258 HydrophobicContact CG-CD1 3.92Å; F203-L258 HydrophobicContact CZ-CB 4.12Å; F203-L258 HydrophobicContact CZ-CD1 3.75Å
204	I	96.3	Very high	92.9	Very high	45 Å²	45	49.1 Å²	49.1	23%	0.231	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-71.1	123.9	172.3	-59.3	-175.4	0	0	0	108.2	R198	R198-I204 HydrophobicContact CG-CG1 3.91Å
205	D	90.8	Very high	92.7	Very high	37 Å²	37	49.6 Å²	49.6	20%	0.198	28%	0.277	C	S	.	.	S	Bend	trans	-88.7	142	167.1	-169.7	9.8	0	0	0	108.7	G197 F203 R292 S294	G197-D205 PolarHBondContact O-N 2.99Å; F203-D205 PolarHBondContact O-N 3.12Å; D205-R292 IonicContact OD1-CZ 3.86Å; D205-R292 IonicContact OD1-NE 3.58Å; D205-R292 IonicContact OD1-NH1 3.56Å; D205-R292 PolarHBondContact OD1-NH1 3.34Å; D205-S294 VanDerWaalsContact OD2-CB 3.23Å; D205-S294 WeakPolarHBondContact OD2-CB 3.16Å; D205-S294 PolarHBondContact OD2-OG 2.85Å
206	G	87.6	Confident	92.8	Very high	20 Å²	20	41.4 Å²	41.4	21%	0.206	25%	0.246	C	C	.	.			trans	85.8	18.3	178	0	0	0	0	0	116.3	E208 N209 R292	G206-E208 VanDerWaalsContact C-N 3.33Å; G206-E208 PolarHBondContact O-N 3.16Å; G206-N209 WeakPolarHBondContact O-CB 3.38Å; G206-N209 PolarHBondContact O-N 2.82Å; G206-R292 VanDerWaalsContact CA-CZ 3.46Å
207	T	89.9	Confident	93	Very high	52 Å²	52	36.8 Å²	36.8	32%	0.319	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-41.6	178.2	-55	0	0	0	0	113.7	N209 R256 S261	T207-N209 VanDerWaalsContact C-N 3.33Å; T207-R256 VanDerWaalsContact CG2-NH2 3.26Å; T207-S261 PolarHBondContact OG1-OG 3.49Å
208	E	89	Confident	93.1	Very high	105 Å²	105	42.3 Å²	42.3	49%	0.491	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	21.4	176.3	-59.9	-58.2	138.5	0	0	112.6	G206 R256	G206-E208 VanDerWaalsContact C-N 3.33Å; G206-E208 PolarHBondContact O-N 3.16Å; E208-R256 IonicContact OE1-CZ 2.69Å; E208-R256 IonicContact OE1-NH1 3.97Å; E208-R256 PolarHBondContact OE1-NH1 3.22Å; E208-R256 IonicContact OE1-NH2 3.1Å
209	N	93.1	Very high	93.1	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.193	24%	0.24	C	C	.	.	S	Bend	trans	-71	141	178.5	-153.9	25.8	0	0	0	109.6	G206 T207 A211 R216 V291 R292	G206-N209 WeakPolarHBondContact O-CB 3.38Å; G206-N209 PolarHBondContact O-N 2.82Å; T207-N209 VanDerWaalsContact C-N 3.33Å; N209-A211 PolarHBondContact O-N 2.87Å; N209-R216 PolarHBondContact ND2-NH1 2.84Å; N209-V291 WeakPolarHBondContact OD1-CA 3.34Å; N209-R292 PolarHBondContact ND2-O 2.84Å; N209-R292 PolarHBondContact OD1-N 3.05Å
210	P	93.5	Very high	93.1	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.052	24%	0.237	C	C	.	.			trans	-54.8	128.5	172.2	-25	35.4	0	0	0	110.5	E215 R216 V219 I290 V291	P210-E215 HydrophobicContact CB-CB 3.94Å; P210-R216 HydrophobicContact CB-CG 3.83Å; P210-R216 VanDerWaalsContact O-CG 3.23Å; P210-R216 WeakPolarHBondContact O-CG 3.28Å; P210-R216 PolarHBondContact O-NH1 2.89Å; P210-R216 VanDerWaalsContact O-NH1 3.14Å; P210-V219 HydrophobicContact CG-CB 4.24Å; P210-V219 HydrophobicContact CG-CG1 4.39Å; P210-V219 HydrophobicContact CG-CG2 3.89Å; P210-I290 WeakPolarHBondContact CD-O 3.23Å; P210-V291 HydrophobicContact CG-CG2 4.11Å
211	A	86.7	Confident	93.1	Very high	72 Å²	72	40.6 Å²	40.6	60%	0.595	23%	0.232	S	C	*	.			trans	-85.3	-50.8	-162.5	0	0	0	0	0	112	N209	N209-A211 PolarHBondContact O-N 2.87Å
212	D	88.7	Confident	93.1	Very high	59 Å²	59	41.1 Å²	41.1	32%	0.316	23%	0.234	S	C	.	.	S	Bend	trans	-93.6	158.7	-177.8	70.2	66.7	0	0	0	112.8	D214 E215 R216	D212-D214 PolarHBondContact O-N 3.26Å; D212-D214 VanDerWaalsContact O-N 3.12Å; D212-D214 WeakPolarHBondContact OD1-CA 3.27Å; D212-D214 WeakPolarHBondContact OD1-CB 3.16Å; D212-D214 PolarHBondContact OD1-N 2.75Å; D212-E215 PolarHBondContact O-N 3.15Å; D212-E215 PolarHBondContact OD1-N 3.11Å; D212-E215 WeakPolarHBondContact OD2-CG 3.22Å; D212-R216 WeakPolarHBondContact O-CG 3.44Å; D212-R216 PolarHBondContact O-N 3.4Å
213	P	87	Confident	92.9	Very high	76 Å²	76	45.2 Å²	45.2	49%	0.494	26%	0.255	S	S	.	.	H	α-helix	trans	-55.6	-28.1	-178.6	-29	37	0	0	0	115	A217	P213-A217 WeakPolarHBondContact O-CB 3.48Å; P213-A217 PolarHBondContact O-N 3.11Å
214	D	88.2	Confident	92.7	Very high	37 Å²	37	53 Å²	53	20%	0.198	29%	0.289	C	S	.	.	H	α-helix	trans	-83.8	-42	-174.4	-58.9	-31.9	0	0	0	110.9	H47 D212 R216 A217 E218	H47-D214 WeakPolarHBondContact CA-OD2 3.47Å; H47-D214 WeakPolarHBondContact CB-OD2 3.42Å; H47-D214 IonicContact CD2-OD2 3.74Å; H47-D214 IonicContact CG-OD2 3.6Å; D212-D214 PolarHBondContact O-N 3.26Å; D212-D214 VanDerWaalsContact O-N 3.12Å; D212-D214 WeakPolarHBondContact OD1-CA 3.27Å; D212-D214 WeakPolarHBondContact OD1-CB 3.16Å; D212-D214 PolarHBondContact OD1-N 2.75Å; D214-R216 VanDerWaalsContact C-N 3.26Å; D214-R216 PolarHBondContact O-N 2.97Å; D214-A217 PolarHBondContact O-N 3.18Å; D214-E218 PolarHBondContact O-N 2.84Å
215	E	92.8	Very high	92.6	Very high	82 Å²	82	51.5 Å²	51.5	38%	0.383	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-39.7	168.8	-70.1	-171.3	166.1	0	0	111	P210 D212 E218 V219	P210-E215 HydrophobicContact CB-CB 3.94Å; D212-E215 PolarHBondContact O-N 3.15Å; D212-E215 PolarHBondContact OD1-N 3.11Å; D212-E215 WeakPolarHBondContact OD2-CG 3.22Å; E215-E218 PolarHBondContact O-N 3.07Å; E215-V219 WeakPolarHBondContact O-CG2 3.45Å; E215-V219 PolarHBondContact O-N 2.81Å; E215-V219 VanDerWaalsContact O-N 3.08Å
216	R	95.5	Very high	92.9	Very high	11 Å²	11	49.9 Å²	49.9	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.4	-68.1	169.2	78.5	79.1	-2.9	111.1	V61 S62 N209 P210 D212 D214 V219 A220 V291	V61-R216 HydrophobicContact CB-CB 4.38Å; V61-R216 WeakPolarHBondContact O-CD 3.46Å; V61-R216 PolarHBondContact O-NE 3.5Å; S62-R216 PolarHBondContact O-NH2 2.88Å; N209-R216 PolarHBondContact ND2-NH1 2.84Å; P210-R216 HydrophobicContact CB-CG 3.83Å; P210-R216 VanDerWaalsContact O-CG 3.23Å; P210-R216 WeakPolarHBondContact O-CG 3.28Å; P210-R216 PolarHBondContact O-NH1 2.89Å; P210-R216 VanDerWaalsContact O-NH1 3.14Å; D212-R216 WeakPolarHBondContact O-CG 3.44Å; D212-R216 PolarHBondContact O-N 3.4Å; D214-R216 VanDerWaalsContact C-N 3.26Å; D214-R216 PolarHBondContact O-N 2.97Å; R216-V219 PolarHBondContact O-N 3.09Å; R216-A220 WeakPolarHBondContact O-CB 3.43Å; R216-A220 PolarHBondContact O-N 3.43Å; R216-V291 HydrophobicContact CB-CG2 4.05Å; R216-V291 HydrophobicContact CG-CG1 4.43Å; R216-V291 HydrophobicContact CG-CG2 4.25Å; R216-V291 VanDerWaalsContact NH2-CG1 3.28Å
217	A	95	Very high	93.3	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-43.1	177.1	0	0	0	0	0	112.1	C50 V61 P213 D214 V219 A220 I221	C50-A217 HydrophobicContact CB-CB 4.2Å; V61-A217 HydrophobicContact CG1-CB 4.22Å; P213-A217 WeakPolarHBondContact O-CB 3.48Å; P213-A217 PolarHBondContact O-N 3.11Å; D214-A217 PolarHBondContact O-N 3.18Å; A217-V219 VanDerWaalsContact C-N 3.28Å; A217-V219 PolarHBondContact O-N 3.03Å; A217-A220 PolarHBondContact O-N 2.8Å; A217-I221 HydrophobicContact CB-CG1 4.39Å; A217-I221 VanDerWaalsContact O-CB 3.25Å; A217-I221 WeakPolarHBondContact O-CB 3.41Å; A217-I221 WeakPolarHBondContact O-CG1 3.46Å; A217-I221 PolarHBondContact O-N 2.85Å
218	E	94.9	Very high	93.8	Very high	150 Å²	150	46.6 Å²	46.6	70%	0.701	25%	0.25	S	S	*	.	H	α-helix	trans	-58.3	-40.5	176.2	-175.1	-179.1	167.6	0	0	111.9	D214 E215	D214-E218 PolarHBondContact O-N 2.84Å; E215-E218 PolarHBondContact O-N 3.07Å
219	V	96.9	Very high	94.2	Very high	20 Å²	20	41.6 Å²	41.6	12%	0.121	23%	0.227	C	C	.	.	H	α-helix	trans	-78.7	-41.3	-179.1	172.7	0	0	0	0	112.5	P210 E215 R216 A217 K289 V291 S312 A313	P210-V219 HydrophobicContact CG-CB 4.24Å; P210-V219 HydrophobicContact CG-CG1 4.39Å; P210-V219 HydrophobicContact CG-CG2 3.89Å; E215-V219 WeakPolarHBondContact O-CG2 3.45Å; E215-V219 PolarHBondContact O-N 2.81Å; E215-V219 VanDerWaalsContact O-N 3.08Å; R216-V219 PolarHBondContact O-N 3.09Å; A217-V219 VanDerWaalsContact C-N 3.28Å; A217-V219 PolarHBondContact O-N 3.03Å; V219-K289 HydrophobicContact CB-CB 4.48Å; V219-K289 VanDerWaalsContact CG1-C 3.46Å; V219-K289 HydrophobicContact CG1-CB 3.8Å; V219-K289 WeakPolarHBondContact CG1-O 3.33Å; V219-K289 HydrophobicContact CG2-CB 3.76Å; V219-K289 HydrophobicContact CG2-CD 4.06Å; V219-V291 HydrophobicContact CB-CG2 4.04Å; V219-V291 HydrophobicContact CG1-CG2 3.94Å; V219-S312 CarbonylContact O-C 3.57Å; V219-S312 WeakPolarHBondContact O-CA 3.21Å; V219-A313 PolarHBondContact O-N 2.89Å
220	A	98.1	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-86.5	-29.2	-170.4	0	0	0	0	0	113.9	V60 V61 R216 A217 S228 V291 S312 A313	V60-A220 HydrophobicContact CG1-CB 4Å; V61-A220 HydrophobicContact CG1-CB 4.28Å; R216-A220 WeakPolarHBondContact O-CB 3.43Å; R216-A220 PolarHBondContact O-N 3.43Å; A217-A220 PolarHBondContact O-N 2.8Å; A220-S228 VanDerWaalsContact O-CB 3.23Å; A220-S228 WeakPolarHBondContact O-CB 3.33Å; A220-S228 PolarHBondContact O-OG 3.24Å; A220-V291 HydrophobicContact CB-CB 4.42Å; A220-V291 HydrophobicContact CB-CG2 3.97Å; A220-S312 CarbonylContact O-C 3.51Å; A220-A313 PolarHBondContact O-N 3.16Å
221	I	98	Very high	94.8	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	22%	0.216	C	C	.	.			trans	-99.4	125.2	-165.6	-55.1	-51.4	0	0	0	112.2	F54 P56 V60 V61 A217 T223 A313	F54-I221 HydrophobicContact CB-CG2 3.75Å; F54-I221 HydrophobicContact CD2-CG2 3.86Å; F54-I221 HydrophobicContact CG-CG2 3.79Å; P56-I221 HydrophobicContact CB-CD1 3.53Å; P56-I221 HydrophobicContact CB-CG1 4.35Å; P56-I221 HydrophobicContact CG-CD1 4.22Å; V60-I221 HydrophobicContact CG1-CD1 3.76Å; V61-I221 HydrophobicContact CG1-CD1 4.07Å; V61-I221 HydrophobicContact CG1-CG1 4.2Å; A217-I221 HydrophobicContact CB-CG1 4.39Å; A217-I221 VanDerWaalsContact O-CB 3.25Å; A217-I221 WeakPolarHBondContact O-CB 3.41Å; A217-I221 WeakPolarHBondContact O-CG1 3.46Å; A217-I221 PolarHBondContact O-N 2.85Å; I221-T223 PolarHBondContact O-N 3.33Å; I221-A313 VanDerWaalsContact O-CB 3.3Å; I221-A313 WeakPolarHBondContact O-CB 3.12Å
222	N	97.2	Very high	95.4	Very high	18 Å²	18	36.5 Å²	36.5	10%	0.096	19%	0.189	C	C	.	.			trans	-72.3	118.4	170.9	-173.1	-76.1	0	0	0	110.2	K224 T225 G226 G227 Y229 A313	N222-K224 PolarHBondContact O-N 3.42Å; N222-K224 WeakPolarHBondContact OD1-CA 3.16Å; N222-K224 WeakPolarHBondContact OD1-CB 3.24Å; N222-K224 PolarHBondContact OD1-N 3.01Å; N222-T225 PolarHBondContact O-N 2.89Å; N222-T225 PolarHBondContact OD1-N 3.39Å; N222-G226 VanDerWaalsContact O-CA 3.32Å; N222-G226 WeakPolarHBondContact O-CA 3.49Å; N222-G226 PolarHBondContact O-N 2.78Å; N222-G227 WeakPolarHBondContact CB-O 3.48Å; N222-G227 PolarHBondContact N-O 3.06Å; N222-Y229 HydrophobicContact CB-CE2 4.41Å; N222-A313 PolarHBondContact ND2-O 3.42Å
223	T	93.9	Very high	95.8	Very high	106 Å²	106	33.8 Å²	33.8	65%	0.65	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-15.8	-175.3	55.5	0	0	0	0	114.7	F54 I221	F54-T223 WeakPolarHBondContact CE1-O 3.3Å; F54-T223 HydrophobicContact CE2-CG2 4.43Å; F54-T223 HydrophobicContact CZ-CG2 4.14Å; I221-T223 PolarHBondContact O-N 3.33Å
224	K	93.5	Very high	96.4	Very high	171 Å²	171	31.5 Å²	31.5	74%	0.743	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-39.6	176.6	-61.5	-178.6	179.7	177.4	0	111.9	N222	N222-K224 PolarHBondContact O-N 3.42Å; N222-K224 WeakPolarHBondContact OD1-CA 3.16Å; N222-K224 WeakPolarHBondContact OD1-CB 3.24Å; N222-K224 PolarHBondContact OD1-N 3.01Å
225	T	94.9	Very high	96.9	Very high	15 Å²	15	30.4 Å²	30.4	9%	0.092	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-21.5	-171.5	71.5	0	0	0	0	113.5	G132 I133 N222 G227 Y350 S353	G132-T225 VanDerWaalsContact C-CG2 3.48Å; I133-T225 HydrophobicContact CG1-CG2 3.69Å; N222-T225 PolarHBondContact O-N 2.89Å; N222-T225 PolarHBondContact OD1-N 3.39Å; T225-G227 PolarHBondContact O-N 2.77Å; T225-G227 PolarHBondContact OG1-N 3.35Å; T225-Y350 WeakPolarHBondContact CB-OH 3.44Å; T225-Y350 PolarHBondContact OG1-OH 3.01Å; T225-S353 PolarHBondContact O-OG 3.06Å
226	G	95.7	Very high	97.2	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.031	14%	0.141	C	C	.	.	S	Bend	trans	72.6	-5.4	-167.9	0	0	0	0	0	114.2	N222 S353	N222-G226 VanDerWaalsContact O-CA 3.32Å; N222-G226 WeakPolarHBondContact O-CA 3.49Å; N222-G226 PolarHBondContact O-N 2.78Å; G226-S353 WeakPolarHBondContact O-CB 3.33Å
227	G	97.8	Very high	97.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	14%	0.143	C	C	.	.			trans	-84.6	-174.2	176.1	0	0	0	0	0	112.8	N222 T225 F351	N222-G227 WeakPolarHBondContact CB-O 3.48Å; N222-G227 PolarHBondContact N-O 3.06Å; T225-G227 PolarHBondContact O-N 2.77Å; T225-G227 PolarHBondContact OG1-N 3.35Å; G227-F351 CarbonylContact C-O 3.51Å; G227-F351 WeakPolarHBondContact CA-O 3.4Å
228	S	98.7	Very high	97.5	Very high	1 Å²	1	32 Å²	32	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.1	-179.5	-170.2	0	0	0	0	110.4	A220 F351	A220-S228 VanDerWaalsContact O-CB 3.23Å; A220-S228 WeakPolarHBondContact O-CB 3.33Å; A220-S228 PolarHBondContact O-OG 3.24Å; S228-F351 PolarHBondContact N-O 3Å; S228-F351 PolarHBondContact O-N 2.91Å
229	Y	98.9	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	145.3	167.2	-56.1	-88.5	0	0	0	108.5	I133 S134 Y136 N222 Y311 S312 A313 T315 W349 Y350	I133-Y229 HydrophobicContact CG2-CE1 4.15Å; S134-Y229 PolarHBondContact N-OH 3.11Å; Y136-Y229 HydrophobicContact CD1-CD1 4.16Å; Y136-Y229 AromaticContact CD1-CE1 3.78Å; Y136-Y229 HydrophobicContact CD1-CE1 3.78Å; Y136-Y229 HydrophobicContact CG-CD1 4.02Å; Y136-Y229 HydrophobicContact CG-CE1 4.08Å; N222-Y229 HydrophobicContact CB-CE2 4.41Å; Y229-Y311 CarbonylContact O-C 3.57Å; Y229-Y311 VanDerWaalsContact O-CA 3.31Å; Y229-Y311 WeakPolarHBondContact O-CA 3.42Å; Y229-S312 PolarHBondContact N-O 3.48Å; Y229-S312 PolarHBondContact O-N 3.46Å; Y229-A313 WeakPolarHBondContact CD2-O 3.39Å; Y229-A313 VanDerWaalsContact CE2-O 3.29Å; Y229-A313 WeakPolarHBondContact CE2-O 3.48Å; Y229-T315 HydrophobicContact CD1-CG2 3.8Å; Y229-T315 HydrophobicContact CG-CG2 3.88Å; Y229-W349 CarbonylContact C-O 3.45Å; Y229-W349 WeakPolarHBondContact CA-O 3.47Å; Y229-Y350 AromaticContact CD1-CD2 3.84Å; Y229-Y350 HydrophobicContact CD1-CD2 3.84Å; Y229-Y350 AromaticContact CE1-CD2 3.64Å; Y229-Y350 HydrophobicContact CE1-CD2 3.64Å; Y229-Y350 HydrophobicContact CE1-CE2 4.23Å; Y229-Y350 HydrophobicContact CG-CD2 4.42Å
230	A	98.9	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.7	172.5	0	0	0	0	0	111.2	I309 A310 Y311 Y348 W349 F351	A230-I309 HydrophobicContact CB-CG1 4.5Å; A230-A310 CarbonylContact C-O 3.59Å; A230-A310 WeakPolarHBondContact CA-O 3.43Å; A230-Y311 HydrophobicContact CB-CD1 3.75Å; A230-Y311 HydrophobicContact CB-CE1 3.76Å; A230-Y348 CarbonylContact O-C 3.54Å; A230-Y348 VanDerWaalsContact O-CA 3.29Å; A230-Y348 WeakPolarHBondContact O-CA 3.32Å; A230-W349 HydrophobicContact CB-CB 4.36Å; A230-W349 PolarHBondContact N-O 3.38Å; A230-W349 PolarHBondContact O-N 3.2Å; A230-F351 HydrophobicContact CB-CD2 3.83Å; A230-F351 HydrophobicContact CB-CE2 3.56Å
231	V	98.9	Very high	97.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.1	161.3	58.8	0	0	0	0	108.4	Y138 Q233 F308 I309 A310 F318 L322 Y348	Y138-V231 HydrophobicContact CE2-CG2 4.17Å; V231-Q233 HydrophobicContact CG2-CG 4.08Å; V231-F308 HydrophobicContact CG1-CD1 4.26Å; V231-F308 HydrophobicContact CG1-CE1 3.68Å; V231-I309 VanDerWaalsContact O-CA 3.29Å; V231-I309 WeakPolarHBondContact O-CA 3.28Å; V231-A310 HydrophobicContact CG1-CB 3.96Å; V231-A310 PolarHBondContact N-O 2.91Å; V231-A310 PolarHBondContact O-N 2.89Å; V231-F318 HydrophobicContact CB-CD1 4.24Å; V231-F318 HydrophobicContact CB-CD2 4.1Å; V231-F318 HydrophobicContact CB-CE1 4.46Å; V231-F318 HydrophobicContact CB-CE2 4.32Å; V231-F318 HydrophobicContact CB-CG 4.06Å; V231-F318 HydrophobicContact CB-CZ 4.49Å; V231-F318 HydrophobicContact CG1-CD1 3.57Å; V231-F318 HydrophobicContact CG1-CD2 4.31Å; V231-F318 HydrophobicContact CG1-CE1 3.7Å; V231-F318 HydrophobicContact CG1-CE2 4.41Å; V231-F318 HydrophobicContact CG1-CG 3.9Å; V231-F318 HydrophobicContact CG1-CZ 4.12Å; V231-L322 HydrophobicContact CG2-CD1 4.36Å; V231-Y348 HydrophobicContact CB-CD1 3.71Å; V231-Y348 HydrophobicContact CB-CE1 3.65Å; V231-Y348 HydrophobicContact CG2-CD1 3.89Å; V231-Y348 HydrophobicContact CG2-CE1 3.64Å
232	V	98.9	Very high	97.7	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.5	174.8	-177.4	0	0	0	0	108.6	F156 L307 F308 I309 G346 N347 W349	F156-V232 HydrophobicContact CD1-CG2 4.14Å; F156-V232 HydrophobicContact CE1-CG1 4.47Å; F156-V232 HydrophobicContact CE1-CG2 3.58Å; F156-V232 HydrophobicContact CE2-CG1 3.89Å; F156-V232 HydrophobicContact CE2-CG2 4.3Å; F156-V232 HydrophobicContact CZ-CB 4.29Å; F156-V232 HydrophobicContact CZ-CG1 3.71Å; F156-V232 HydrophobicContact CZ-CG2 3.67Å; V232-L307 HydrophobicContact CG1-CD2 4.2Å; V232-F308 CarbonylContact C-O 3.56Å; V232-F308 VanDerWaalsContact CA-O 3.31Å; V232-F308 WeakPolarHBondContact CA-O 3.34Å; V232-I309 HydrophobicContact CG2-CB 4.31Å; V232-I309 HydrophobicContact CG2-CD1 3.83Å; V232-I309 HydrophobicContact CG2-CG1 3.85Å; V232-G346 WeakPolarHBondContact O-CA 3.24Å; V232-N347 PolarHBondContact N-O 2.71Å; V232-N347 PolarHBondContact O-N 2.78Å; V232-N347 VanDerWaalsContact O-N 3.07Å; V232-W349 VanDerWaalsContact CG2-CD1 3.45Å; V232-W349 HydrophobicContact CG2-CG 4.49Å
233	Q	98.9	Very high	97.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.6	-178.6	-69.4	168.1	-22.1	0	0	111.2	Y138 V231 W235 F308 T345	Y138-Q233 PolarHBondContact OH-NE2 2.91Å; V231-Q233 HydrophobicContact CG2-CG 4.08Å; Q233-W235 VanDerWaalsContact CB-NE1 3.3Å; Q233-W235 VanDerWaalsContact OE1-NE1 3.14Å; Q233-F308 HydrophobicContact CB-CB 4.32Å; Q233-F308 PolarHBondContact N-O 3.23Å; Q233-F308 PolarHBondContact O-N 2.91Å; Q233-T345 WeakPolarHBondContact CA-O 3.4Å; Q233-T345 WeakPolarHBondContact CB-O 3.4Å
234	K	98.9	Very high	97.9	Very high	28 Å²	28	41.1 Å²	41.1	12%	0.122	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.7	171.6	-172.8	-179.5	-173.5	179.6	0	110	E187 I189 Y297 L307 C343 V344 T345	E187-K234 IonicContact OE1-NZ 2.91Å; E187-K234 PolarHBondContact OE1-NZ 2.88Å; I189-K234 HydrophobicContact CD1-CD 3.71Å; I189-K234 HydrophobicContact CD1-CG 4.22Å; K234-Y297 HydrophobicContact CD-CE2 4.42Å; K234-Y297 VanDerWaalsContact CE-CZ 3.43Å; K234-Y297 WeakPolarHBondContact CE-OH 3.47Å; K234-Y297 HydrophobicContact CG-CE1 4Å; K234-Y297 HydrophobicContact CG-CE2 4.32Å; K234-Y297 WeakPolarHBondContact CG-OH 3.12Å; K234-L307 HydrophobicContact CB-CD1 3.79Å; K234-L307 HydrophobicContact CG-CD1 4.08Å; K234-C343 WeakPolarHBondContact O-CA 3.45Å; K234-V344 HydrophobicContact CB-CG2 3.97Å; K234-V344 HydrophobicContact CD-CG2 3.91Å; K234-V344 HydrophobicContact CG-CG2 3.86Å; K234-V344 WeakPolarHBondContact O-CG2 3.47Å; K234-V344 PolarHBondContact O-N 3.06Å; K234-T345 HydrophobicContact CB-CG2 4.12Å; K234-T345 WeakPolarHBondContact CB-OG1 3.49Å; K234-T345 HydrophobicContact CD-CG2 4.36Å; K234-T345 PolarHBondContact N-O 2.65Å; K234-T345 PolarHBondContact N-OG1 3.02Å; K234-T345 VanDerWaalsContact N-OG1 3.12Å
235	W	98.9	Very high	98.2	Very high	15 Å²	15	34.3 Å²	34.3	6%	0.057	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.3	179.4	-66.3	86.2	0	0	0	110.2	L148 Q233 Y297 G305 L306 M325 M338 T341 K342 C343	L148-W235 HydrophobicContact CD2-CH2 3.49Å; L148-W235 VanDerWaalsContact CD2-CH2 3.49Å; L148-W235 HydrophobicContact CD2-CZ2 3.64Å; Q233-W235 VanDerWaalsContact CB-NE1 3.3Å; Q233-W235 VanDerWaalsContact OE1-NE1 3.14Å; W235-Y297 WeakPolarHBondContact O-CE1 3.45Å; W235-Y297 PolarHBondContact O-OH 3.45Å; W235-G305 WeakPolarHBondContact O-CA 3.41Å; W235-L306 HydrophobicContact CB-CB 4.45Å; W235-L306 WeakPolarHBondContact CB-O 3.38Å; W235-L306 PolarHBondContact N-O 3.2Å; W235-L306 PolarHBondContact O-N 2.99Å; W235-L306 VanDerWaalsContact O-N 3.16Å; W235-M325 HydrophobicContact CH2-CE 3.55Å; W235-M325 HydrophobicContact CZ2-CE 3.9Å; W235-M325 HydrophobicContact CZ3-CE 4.46Å; W235-M338 HydrophobicContact CH2-CE 4.4Å; W235-M338 HydrophobicContact CH2-CG 4.21Å; W235-M338 HydrophobicContact CH2-SD 4.46Å; W235-M338 HydrophobicContact CZ3-CE 4.45Å; W235-M338 HydrophobicContact CZ3-CG 4.07Å; W235-T341 HydrophobicContact CE3-CG2 3.67Å; W235-T341 HydrophobicContact CZ3-CG2 4.11Å; W235-K342 WeakPolarHBondContact CA-O 3.21Å; W235-C343 HydrophobicContact CD2-CB 3.82Å; W235-C343 HydrophobicContact CE3-CB 3.74Å; W235-C343 HydrophobicContact CH2-CB 3.66Å; W235-C343 HydrophobicContact CZ2-CB 3.72Å; W235-C343 HydrophobicContact CZ3-CB 3.66Å
236	I	98.8	Very high	98.4	Very high	36 Å²	36	41.4 Å²	41.4	19%	0.185	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.5	175.3	-58.1	172	0	0	0	107.8	D303 T341 K342 V344	I236-D303 HydrophobicContact CD1-CB 4.1Å; I236-D303 WeakPolarHBondContact CD1-OD2 3.23Å; I236-D303 HydrophobicContact CG1-CB 4.16Å; I236-D303 HydrophobicContact CG2-CB 4.19Å; I236-T341 CarbonylContact O-C 3.43Å; I236-T341 VanDerWaalsContact O-CA 3.24Å; I236-T341 WeakPolarHBondContact O-CA 3.19Å; I236-T341 WeakPolarHBondContact O-CB 3.21Å; I236-T341 PolarHBondContact O-OG1 2.88Å; I236-K342 PolarHBondContact N-O 2.83Å; I236-K342 PolarHBondContact O-N 2.96Å; I236-V344 HydrophobicContact CD1-CB 4.34Å; I236-V344 HydrophobicContact CD1-CG1 3.67Å; I236-V344 HydrophobicContact CD1-CG2 3.8Å; I236-V344 HydrophobicContact CG1-CG1 4.26Å; I236-V344 HydrophobicContact CG1-CG2 3.97Å
237	H	98.8	Very high	98.5	Very high	16 Å²	16	45.1 Å²	45.1	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	143.3	-179.6	-66.8	-0.7	0	0	0	111.7	D199 M239 I242 A304 T341	D199-H237 VanDerWaalsContact CG-NE2 3.28Å; D199-H237 IonicContact OD1-CD2 3.77Å; D199-H237 IonicContact OD1-CE1 2.93Å; D199-H237 IonicContact OD1-NE2 3.9Å; D199-H237 PolarHBondContact OD1-NE2 2.93Å; D199-H237 IonicContact OD2-CD2 2.89Å; D199-H237 IonicContact OD2-CE1 3.27Å; D199-H237 IonicContact OD2-NE2 2.63Å; D199-H237 PolarHBondContact OD2-NE2 2.69Å; H237-M239 HydrophobicContact CB-SD 3.76Å; H237-M239 PolarHBondContact O-N 2.63Å; H237-I242 HydrophobicContact CB-CD1 3.78Å; H237-A304 PolarHBondContact N-O 2.96Å; H237-T341 PolarHBondContact CE1-OG1 3.2Å; H237-T341 VanDerWaalsContact ND1-CB 3.28Å; H237-T341 WeakPolarHBondContact ND1-CB 3.39Å; H237-T341 PolarHBondContact ND1-OG1 3.29Å
238	N	98.5	Very high	98.5	Very high	74 Å²	74	52.2 Å²	52.2	40%	0.396	25%	0.252	S	S	.	.			trans	-84.4	89.5	165.7	-173.6	-27.6	0	0	0	108.9	D240 M241 I242 F340	N238-D240 VanDerWaalsContact C-N 3.27Å; N238-D240 PolarHBondContact O-N 2.89Å; N238-D240 PolarHBondContact OD1-N 2.7Å; N238-M241 HydrophobicContact CB-CB 3.95Å; N238-M241 VanDerWaalsContact CG-CB 3.49Å; N238-M241 PolarHBondContact O-N 3.26Å; N238-M241 WeakPolarHBondContact OD1-CB 3.21Å; N238-M241 PolarHBondContact OD1-N 2.91Å; N238-I242 WeakPolarHBondContact O-CG1 3.33Å; N238-I242 PolarHBondContact O-N 3.1Å; N238-F340 WeakPolarHBondContact CB-O 3.24Å; N238-F340 PolarHBondContact N-O 3.29Å
239	M	98	Very high	98.5	Very high	61 Å²	61	55 Å²	55	30%	0.3	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-34.3	-176.1	-60.7	-52.5	-67.9	0	0	112.8	L200 H237 I242 R243	L200-M239 HydrophobicContact CB-CE 4.21Å; L200-M239 HydrophobicContact CB-SD 4.44Å; H237-M239 HydrophobicContact CB-SD 3.76Å; H237-M239 PolarHBondContact O-N 2.63Å; M239-I242 PolarHBondContact O-N 3.34Å; M239-I242 HydrophobicContact SD-CD1 4.02Å; M239-R243 VanDerWaalsContact O-CB 3.29Å; M239-R243 WeakPolarHBondContact O-CB 3.25Å; M239-R243 PolarHBondContact O-N 2.98Å
240	D	97.5	Very high	98.5	Very high	97 Å²	97	55.7 Å²	55.7	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-41.8	176.4	-83.9	-35	0	0	0	112.3	N238 R243 T244	N238-D240 VanDerWaalsContact C-N 3.27Å; N238-D240 PolarHBondContact O-N 2.89Å; N238-D240 PolarHBondContact OD1-N 2.7Å; D240-R243 PolarHBondContact O-N 3.31Å; D240-R243 IonicContact OD1-CZ 3.57Å; D240-R243 IonicContact OD1-NE 3.48Å; D240-R243 PolarHBondContact OD1-NE 2.8Å; D240-R243 IonicContact OD1-NH2 2.78Å; D240-R243 PolarHBondContact OD1-NH2 2.96Å; D240-T244 WeakPolarHBondContact O-CB 3.42Å; D240-T244 WeakPolarHBondContact O-CG2 3.41Å; D240-T244 PolarHBondContact O-N 3.26Å; D240-T244 PolarHBondContact O-OG1 3.4Å
241	M	98.4	Very high	98.5	Very high	59 Å²	59	57.4 Å²	57.4	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-45.3	174.2	-174.4	-178.3	-68.2	0	0	111	N238 R243 T244 T245 W253 F340	N238-M241 HydrophobicContact CB-CB 3.95Å; N238-M241 VanDerWaalsContact CG-CB 3.49Å; N238-M241 PolarHBondContact O-N 3.26Å; N238-M241 WeakPolarHBondContact OD1-CB 3.21Å; N238-M241 PolarHBondContact OD1-N 2.91Å; M241-R243 VanDerWaalsContact C-N 3.3Å; M241-R243 PolarHBondContact O-N 2.89Å; M241-T244 PolarHBondContact O-N 3.02Å; M241-T245 WeakPolarHBondContact O-CB 3.32Å; M241-T245 PolarHBondContact O-N 3.47Å; M241-T245 PolarHBondContact O-OG1 2.85Å; M241-W253 HydrophobicContact SD-CH2 4.26Å; M241-W253 HydrophobicContact SD-CZ3 4.42Å; M241-F340 HydrophobicContact CG-CB 4.42Å; M241-F340 HydrophobicContact SD-CB 3.84Å
242	I	98.3	Very high	98.5	Very high	13 Å²	13	58 Å²	58	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-58.2	-43.8	177.2	-70.2	160.9	0	0	0	111	H237 N238 M239 K250 F340	H237-I242 HydrophobicContact CB-CD1 3.78Å; N238-I242 WeakPolarHBondContact O-CG1 3.33Å; N238-I242 PolarHBondContact O-N 3.1Å; M239-I242 PolarHBondContact O-N 3.34Å; M239-I242 HydrophobicContact SD-CD1 4.02Å; I242-K250 WeakPolarHBondContact O-CD 3.34Å; I242-K250 PolarHBondContact O-NZ 2.68Å; I242-F340 HydrophobicContact CD1-CD2 3.75Å; I242-F340 HydrophobicContact CD1-CE2 4.24Å; I242-F340 HydrophobicContact CG1-CB 4.18Å; I242-F340 HydrophobicContact CG1-CD2 3.76Å; I242-F340 HydrophobicContact CG1-CE2 4.45Å; I242-F340 HydrophobicContact CG1-CG 4.11Å
243	R	97.2	Very high	98.5	Very high	171 Å²	171	59.6 Å²	59.6	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-69	-38.7	-178.8	-179.2	-179.7	58.8	74.3	0.6	113	M239 D240 M241	M239-R243 VanDerWaalsContact O-CB 3.29Å; M239-R243 WeakPolarHBondContact O-CB 3.25Å; M239-R243 PolarHBondContact O-N 2.98Å; D240-R243 PolarHBondContact O-N 3.31Å; D240-R243 IonicContact OD1-CZ 3.57Å; D240-R243 IonicContact OD1-NE 3.48Å; D240-R243 PolarHBondContact OD1-NE 2.8Å; D240-R243 IonicContact OD1-NH2 2.78Å; D240-R243 PolarHBondContact OD1-NH2 2.96Å; M241-R243 VanDerWaalsContact C-N 3.3Å; M241-R243 PolarHBondContact O-N 2.89Å
244	T	98.3	Very high	98.5	Very high	91 Å²	91	60.2 Å²	60.2	56%	0.558	30%	0.295	S	S	*	.	H	α-helix	trans	-92.7	-22	-172.4	55.4	0	0	0	0	113.7	D240 M241	D240-T244 WeakPolarHBondContact O-CB 3.42Å; D240-T244 WeakPolarHBondContact O-CG2 3.41Å; D240-T244 PolarHBondContact O-N 3.26Å; D240-T244 PolarHBondContact O-OG1 3.4Å; M241-T244 PolarHBondContact O-N 3.02Å
245	T	98.7	Very high	98.5	Very high	28 Å²	28	58.9 Å²	58.9	17%	0.172	29%	0.29	C	S	.	.	S	Bend	trans	-75.3	131.9	177.8	-57	0	0	0	0	110.6	M241 T249 K250 W253	M241-T245 WeakPolarHBondContact O-CB 3.32Å; M241-T245 PolarHBondContact O-N 3.47Å; M241-T245 PolarHBondContact O-OG1 2.85Å; T245-T249 HydrophobicContact CG2-CG2 3.78Å; T245-K250 HydrophobicContact CG2-CG 3.79Å; T245-K250 WeakPolarHBondContact O-CE 3.33Å; T245-W253 HydrophobicContact CG2-CH2 3.62Å; T245-W253 HydrophobicContact CG2-CZ2 4.26Å; T245-W253 HydrophobicContact CG2-CZ3 3.9Å
246	K	98.5	Very high	98.4	Very high	164 Å²	164	59.4 Å²	59.4	71%	0.713	29%	0.292	S	S	*	.			trans	-56.9	140.9	176.2	-65	-178.6	-179.7	178.6	0	111	H248 T249 K250	K246-H248 VanDerWaalsContact C-N 3.32Å; K246-H248 PolarHBondContact O-N 3.04Å; K246-T249 WeakPolarHBondContact O-CB 3.22Å; K246-T249 PolarHBondContact O-N 3.07Å; K246-K250 PolarHBondContact O-N 2.88Å
247	D	98.4	Very high	98.4	Very high	82 Å²	82	59.3 Å²	59.3	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-55.4	-45.3	-177.6	-69.3	-16.8	0	0	0	112.5	T249 K250 E251 L258	D247-T249 PolarHBondContact O-N 3.1Å; D247-T249 VanDerWaalsContact O-N 3.13Å; D247-K250 CarbonylContact O-C 3.6Å; D247-K250 PolarHBondContact O-N 3.12Å; D247-K250 WeakPolarHBondContact OD1-CE 3.5Å; D247-K250 IonicContact OD1-NZ 3.87Å; D247-K250 PolarHBondContact OD1-NZ 2.72Å; D247-E251 WeakPolarHBondContact O-CB 3.2Å; D247-E251 VanDerWaalsContact O-CG 3.25Å; D247-E251 WeakPolarHBondContact O-CG 3.4Å; D247-E251 PolarHBondContact O-N 3.07Å; D247-L258 HydrophobicContact CB-CD2 4.35Å; D247-L258 WeakPolarHBondContact OD1-CD2 3.4Å
248	H	98.2	Very high	98.3	Very high	150 Å²	150	60 Å²	60	69%	0.694	30%	0.297	S	S	*	.	H	α-helix	trans	-53.5	-38.3	177.2	-179.2	63.2	0	0	0	113.6	K246 G252	K246-H248 VanDerWaalsContact C-N 3.32Å; K246-H248 PolarHBondContact O-N 3.04Å; H248-G252 PolarHBondContact O-N 3.44Å
249	T	98.8	Very high	98.2	Very high	58 Å²	58	64 Å²	64	36%	0.356	31%	0.311	S	S	.	.	H	α-helix	trans	-69.8	-45.1	177.4	-57.9	0	0	0	0	111.1	T245 K246 D247 G252 W253	T245-T249 HydrophobicContact CG2-CG2 3.78Å; K246-T249 WeakPolarHBondContact O-CB 3.22Å; K246-T249 PolarHBondContact O-N 3.07Å; D247-T249 PolarHBondContact O-N 3.1Å; D247-T249 VanDerWaalsContact O-N 3.13Å; T249-G252 PolarHBondContact O-N 3.18Å; T249-G252 VanDerWaalsContact O-N 3.17Å; T249-W253 HydrophobicContact CG2-CD2 4.34Å; T249-W253 HydrophobicContact CG2-CH2 4.24Å; T249-W253 HydrophobicContact CG2-CZ2 3.53Å; T249-W253 PolarHBondContact O-N 3.39Å
250	K	98.8	Very high	98	Very high	16 Å²	16	66.1 Å²	66.1	7%	0.07	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-42.5	176	-65.6	-178.5	-65.7	-172.3	0	111.7	F203 I242 T245 K246 D247 G252 W253 I254	F203-K250 HydrophobicContact CE2-CB 3.92Å; F203-K250 HydrophobicContact CZ-CB 3.88Å; I242-K250 WeakPolarHBondContact O-CD 3.34Å; I242-K250 PolarHBondContact O-NZ 2.68Å; T245-K250 HydrophobicContact CG2-CG 3.79Å; T245-K250 WeakPolarHBondContact O-CE 3.33Å; K246-K250 PolarHBondContact O-N 2.88Å; D247-K250 CarbonylContact O-C 3.6Å; D247-K250 PolarHBondContact O-N 3.12Å; D247-K250 WeakPolarHBondContact OD1-CE 3.5Å; D247-K250 IonicContact OD1-NZ 3.87Å; D247-K250 PolarHBondContact OD1-NZ 2.72Å; K250-G252 PolarHBondContact O-N 2.99Å; K250-W253 HydrophobicContact CG-CE3 4.23Å; K250-W253 HydrophobicContact CG-CZ3 4.24Å; K250-W253 WeakPolarHBondContact O-CB 3.14Å; K250-W253 PolarHBondContact O-N 3.33Å; K250-I254 WeakPolarHBondContact O-CG1 3.41Å; K250-I254 PolarHBondContact O-N 3.4Å
251	E	98.8	Very high	98	Very high	35 Å²	35	61.9 Å²	61.9	16%	0.164	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-37.3	174.8	-68.8	178.7	154.1	0	0	111	F203 D247 I254 G255 R256 T257 L258 L264	F203-E251 HydrophobicContact CE1-CG 4.09Å; F203-E251 HydrophobicContact CZ-CG 4.14Å; D247-E251 WeakPolarHBondContact O-CB 3.2Å; D247-E251 VanDerWaalsContact O-CG 3.25Å; D247-E251 WeakPolarHBondContact O-CG 3.4Å; D247-E251 PolarHBondContact O-N 3.07Å; E251-I254 PolarHBondContact O-N 2.92Å; E251-G255 WeakPolarHBondContact O-CA 3.29Å; E251-G255 PolarHBondContact O-N 3.24Å; E251-R256 WeakPolarHBondContact CA-O 3.48Å; E251-R256 WeakPolarHBondContact CB-O 3.31Å; E251-R256 WeakPolarHBondContact CG-O 3.41Å; E251-T257 VanDerWaalsContact OE1-CA 3.26Å; E251-T257 WeakPolarHBondContact OE1-CA 3.28Å; E251-L258 HydrophobicContact CG-CB 4.19Å; E251-L258 PolarHBondContact OE1-N 3.07Å; E251-L264 HydrophobicContact CB-CD1 4.32Å; E251-L264 VanDerWaalsContact O-CD1 3.31Å; E251-L264 WeakPolarHBondContact O-CD1 3.01Å
252	G	98.8	Very high	97.9	Very high	15 Å²	15	62.6 Å²	62.6	16%	0.155	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-39.6	171.2	0	0	0	0	0	113.5	H248 T249 K250 P268 S271	H248-G252 PolarHBondContact O-N 3.44Å; T249-G252 PolarHBondContact O-N 3.18Å; T249-G252 VanDerWaalsContact O-N 3.17Å; K250-G252 PolarHBondContact O-N 2.99Å; G252-P268 WeakPolarHBondContact O-CD 3.42Å; G252-S271 WeakPolarHBondContact O-CB 3.47Å
253	W	98.8	Very high	97.9	Very high	40 Å²	40	62.9 Å²	62.9	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-69	-34.3	176	-59.5	-22.3	0	0	0	113	M241 T245 T249 K250 S271 H272 D336 F340	M241-W253 HydrophobicContact SD-CH2 4.26Å; M241-W253 HydrophobicContact SD-CZ3 4.42Å; T245-W253 HydrophobicContact CG2-CH2 3.62Å; T245-W253 HydrophobicContact CG2-CZ2 4.26Å; T245-W253 HydrophobicContact CG2-CZ3 3.9Å; T249-W253 HydrophobicContact CG2-CD2 4.34Å; T249-W253 HydrophobicContact CG2-CH2 4.24Å; T249-W253 HydrophobicContact CG2-CZ2 3.53Å; T249-W253 PolarHBondContact O-N 3.39Å; K250-W253 HydrophobicContact CG-CE3 4.23Å; K250-W253 HydrophobicContact CG-CZ3 4.24Å; K250-W253 WeakPolarHBondContact O-CB 3.14Å; K250-W253 PolarHBondContact O-N 3.33Å; W253-S271 CarbonylContact O-C 3.46Å; W253-S271 VanDerWaalsContact O-CA 3.24Å; W253-S271 WeakPolarHBondContact O-CA 3.44Å; W253-H272 PolarHBondContact O-N 2.89Å; W253-D336 HydrophobicContact CB-CB 3.75Å; W253-D336 HydrophobicContact CG-CB 3.89Å; W253-F340 AromaticContact CE3-CD1 3.81Å; W253-F340 HydrophobicContact CE3-CD1 3.81Å; W253-F340 HydrophobicContact CE3-CE1 4.47Å; W253-F340 HydrophobicContact CZ3-CB 4.41Å; W253-F340 HydrophobicContact CZ3-CD1 4.17Å
254	I	98.7	Very high	97.9	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.077	29%	0.289	C	S	.	.	H	α-helix	trans	-86.7	-38.9	-179.9	-62.3	-54.2	0	0	0	112.1	F203 K250 E251 R256 H272 V273 V337 F340	F203-I254 HydrophobicContact CD1-CB 4.13Å; F203-I254 HydrophobicContact CD1-CG1 4.1Å; F203-I254 HydrophobicContact CD1-CG2 3.85Å; F203-I254 HydrophobicContact CD2-CD1 4.48Å; F203-I254 HydrophobicContact CD2-CG1 3.69Å; F203-I254 HydrophobicContact CE1-CB 4Å; F203-I254 HydrophobicContact CE1-CG1 4.02Å; F203-I254 HydrophobicContact CE1-CG2 4.19Å; F203-I254 HydrophobicContact CE2-CB 4.47Å; F203-I254 HydrophobicContact CE2-CG1 3.6Å; F203-I254 HydrophobicContact CG-CB 4.43Å; F203-I254 HydrophobicContact CG-CG1 3.94Å; F203-I254 HydrophobicContact CG-CG2 4.15Å; F203-I254 HydrophobicContact CZ-CB 4.18Å; F203-I254 HydrophobicContact CZ-CG1 3.77Å; K250-I254 WeakPolarHBondContact O-CG1 3.41Å; K250-I254 PolarHBondContact O-N 3.4Å; E251-I254 PolarHBondContact O-N 2.92Å; I254-R256 HydrophobicContact CG2-CB 4.47Å; I254-H272 HydrophobicContact CD1-CB 4.4Å; I254-H272 PolarHBondContact O-N 3.03Å; I254-V273 WeakPolarHBondContact O-CG2 3.46Å; I254-V273 PolarHBondContact O-N 2.86Å; I254-V337 HydrophobicContact CD1-CB 4.41Å; I254-V337 HydrophobicContact CD1-CG2 3.82Å; I254-F340 HydrophobicContact CD1-CE1 3.88Å; I254-F340 HydrophobicContact CD1-CZ 3.97Å
255	G	98.5	Very high	97.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	10.5	-173.6	0	0	0	0	0	114.3	E251 L264	E251-G255 WeakPolarHBondContact O-CA 3.29Å; E251-G255 PolarHBondContact O-N 3.24Å; G255-L264 PolarHBondContact O-N 3.14Å
256	R	98.4	Very high	97.7	Very high	27 Å²	27	65.8 Å²	65.8	10%	0.102	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-138.1	160.1	175.3	-51	-170.3	77	99.2	-6.4	111.3	F203 T207 E208 E251 I254 S261 V262 E263 V273	F203-R256 WeakPolarHBondContact CE1-O 3.22Å; T207-R256 VanDerWaalsContact CG2-NH2 3.26Å; E208-R256 IonicContact OE1-CZ 2.69Å; E208-R256 IonicContact OE1-NH1 3.97Å; E208-R256 PolarHBondContact OE1-NH1 3.22Å; E208-R256 IonicContact OE1-NH2 3.1Å; E251-R256 WeakPolarHBondContact CA-O 3.48Å; E251-R256 WeakPolarHBondContact CB-O 3.31Å; E251-R256 WeakPolarHBondContact CG-O 3.41Å; I254-R256 HydrophobicContact CG2-CB 4.47Å; R256-S261 PolarHBondContact NE-O 3.2Å; R256-S261 PolarHBondContact NE-OG 2.78Å; R256-S261 PolarHBondContact NH2-O 3.28Å; R256-V262 CarbonylContact C-O 3.48Å; R256-V262 WeakPolarHBondContact CA-O 3.31Å; R256-V262 WeakPolarHBondContact CB-O 3.21Å; R256-E263 IonicContact NH1-OE2 2.71Å; R256-V273 HydrophobicContact CG-CG2 3.65Å
257	T	98.2	Very high	97.7	Very high	33 Å²	33	58.3 Å²	58.3	20%	0.202	29%	0.293	C	S	.	.			trans	-70.8	142.8	172.6	64.4	0	0	0	0	111.6	E251 S261 V262 L264	E251-T257 VanDerWaalsContact OE1-CA 3.26Å; E251-T257 WeakPolarHBondContact OE1-CA 3.28Å; T257-S261 VanDerWaalsContact O-CA 3.24Å; T257-S261 WeakPolarHBondContact O-CA 3.11Å; T257-S261 PolarHBondContact O-N 2.8Å; T257-S261 PolarHBondContact OG1-N 2.94Å; T257-V262 HydrophobicContact CG2-CB 4.35Å; T257-V262 PolarHBondContact N-O 3.25Å; T257-V262 PolarHBondContact OG1-N 3.12Å; T257-L264 HydrophobicContact CG2-CD2 3.81Å
258	L	97	Very high	97.7	Very high	31 Å²	31	56.8 Å²	56.8	16%	0.162	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-46.3	-177.1	-179.7	66	0	0	0	110.9	R198 G202 F203 D247 E251	R198-L258 PolarHBondContact NH1-O 2.87Å; R198-L258 PolarHBondContact NH2-O 2.79Å; G202-L258 VanDerWaalsContact C-CD1 3.45Å; G202-L258 VanDerWaalsContact O-CD1 3.32Å; G202-L258 WeakPolarHBondContact O-CD1 3.4Å; F203-L258 HydrophobicContact CD1-CD1 3.98Å; F203-L258 HydrophobicContact CD2-CD1 3.77Å; F203-L258 HydrophobicContact CE1-CB 3.92Å; F203-L258 HydrophobicContact CE1-CD1 3.89Å; F203-L258 HydrophobicContact CE2-CD1 3.68Å; F203-L258 HydrophobicContact CG-CD1 3.92Å; F203-L258 HydrophobicContact CZ-CB 4.12Å; F203-L258 HydrophobicContact CZ-CD1 3.75Å; D247-L258 HydrophobicContact CB-CD2 4.35Å; D247-L258 WeakPolarHBondContact OD1-CD2 3.4Å; E251-L258 HydrophobicContact CG-CB 4.19Å; E251-L258 PolarHBondContact OE1-N 3.07Å
259	K	95.7	Very high	97.7	Very high	159 Å²	159	52.6 Å²	52.6	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-51.5	-172.8	-171.4	-171.5	168	-168.3	0	112.5	R198	R198-K259 PolarHBondContact NH2-O 2.88Å
260	D	94.3	Very high	97.7	Very high	104 Å²	104	51.6 Å²	51.6	56%	0.556	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	3.3	-166.6	-57	-51.4	0	0	0	113.1	V262	D260-V262 VanDerWaalsContact C-N 3.27Å; D260-V262 HydrophobicContact CB-CG2 4.11Å; D260-V262 PolarHBondContact O-N 3.37Å
261	S	96.5	Very high	97.7	Very high	8 Å²	8	50.8 Å²	50.8	6%	0.056	26%	0.261	C	S	.	.			trans	52.8	41.9	-177.6	-160	0	0	0	0	113.3	T207 R256 T257	T207-S261 PolarHBondContact OG1-OG 3.49Å; R256-S261 PolarHBondContact NE-O 3.2Å; R256-S261 PolarHBondContact NE-OG 2.78Å; R256-S261 PolarHBondContact NH2-O 3.28Å; T257-S261 VanDerWaalsContact O-CA 3.24Å; T257-S261 WeakPolarHBondContact O-CA 3.11Å; T257-S261 PolarHBondContact O-N 2.8Å; T257-S261 PolarHBondContact OG1-N 2.94Å
262	V	97.3	Very high	97.6	Very high	75 Å²	75	51 Å²	51	46%	0.455	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-87.8	130.7	174.8	178.5	0	0	0	0	108.8	R256 T257 D260	R256-V262 CarbonylContact C-O 3.48Å; R256-V262 WeakPolarHBondContact CA-O 3.31Å; R256-V262 WeakPolarHBondContact CB-O 3.21Å; T257-V262 HydrophobicContact CG2-CB 4.35Å; T257-V262 PolarHBondContact N-O 3.25Å; T257-V262 PolarHBondContact OG1-N 3.12Å; D260-V262 VanDerWaalsContact C-N 3.27Å; D260-V262 HydrophobicContact CB-CG2 4.11Å; D260-V262 PolarHBondContact O-N 3.37Å
263	E	97.7	Very high	97.6	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.084	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-60.3	137.5	176.5	-171.9	171.1	132.4	0	0	111.9	R256 K265 K267 Y282 D283	R256-E263 IonicContact NH1-OE2 2.71Å; E263-K265 PolarHBondContact O-N 2.86Å; E263-K267 HydrophobicContact CG-CD 4.2Å; E263-K267 WeakPolarHBondContact OE1-CE 3.37Å; E263-K267 IonicContact OE1-NZ 2.82Å; E263-K267 PolarHBondContact OE1-NZ 3.25Å; E263-Y282 HydrophobicContact CB-CD2 4.39Å; E263-Y282 HydrophobicContact CB-CE2 4.04Å; E263-Y282 HydrophobicContact CG-CD2 4.22Å; E263-Y282 HydrophobicContact CG-CE2 4.38Å; E263-Y282 WeakPolarHBondContact O-CE2 3.2Å; E263-D283 PolarHBondContact OE1-N 2.99Å
264	L	98.2	Very high	97.6	Very high	39 Å²	39	49.2 Å²	49.2	20%	0.204	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-76.7	126.4	177.2	-57.1	179.2	0	0	0	110.4	E251 G255 T257 N266 K267	E251-L264 HydrophobicContact CB-CD1 4.32Å; E251-L264 VanDerWaalsContact O-CD1 3.31Å; E251-L264 WeakPolarHBondContact O-CD1 3.01Å; G255-L264 PolarHBondContact O-N 3.14Å; T257-L264 HydrophobicContact CG2-CD2 3.81Å; L264-N266 PolarHBondContact O-N 3.25Å; L264-K267 HydrophobicContact CB-CB 4.02Å; L264-K267 PolarHBondContact O-N 3.4Å
265	K	96.7	Very high	97.5	Very high	157 Å²	157	48.7 Å²	48.7	68%	0.683	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-35.8	175.8	-69.1	-175.5	177.5	-177.5	0	113.5	E263 Y282	E263-K265 PolarHBondContact O-N 2.86Å; K265-Y282 HydrophobicContact CB-CD2 4.34Å; K265-Y282 HydrophobicContact CG-CD2 3.94Å; K265-Y282 HydrophobicContact CG-CE2 4.04Å; K265-Y282 HydrophobicContact CG-CG 4.31Å
266	N	95.7	Very high	97.5	Very high	155 Å²	155	50.1 Å²	50.1	83%	0.829	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	47.7	179.4	-59.9	-33.4	0	0	0	110.4	L264	L264-N266 PolarHBondContact O-N 3.25Å
267	K	97.7	Very high	97.4	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.03	25%	0.254	C	S	.	.			trans	-61.7	138	177.5	62.5	-175.9	179.2	-66.9	0	110.7	E263 L264 V273 A274 S279 A280 D281	E263-K267 HydrophobicContact CG-CD 4.2Å; E263-K267 WeakPolarHBondContact OE1-CE 3.37Å; E263-K267 IonicContact OE1-NZ 2.82Å; E263-K267 PolarHBondContact OE1-NZ 3.25Å; L264-K267 HydrophobicContact CB-CB 4.02Å; L264-K267 PolarHBondContact O-N 3.4Å; K267-V273 HydrophobicContact CD-CB 4.22Å; K267-V273 HydrophobicContact CD-CG1 3.94Å; K267-A274 HydrophobicContact CD-CB 4.28Å; K267-A274 HydrophobicContact CG-CB 4.49Å; K267-S279 WeakPolarHBondContact CE-O 3.14Å; K267-A280 WeakPolarHBondContact CE-O 3.23Å; K267-A280 WeakPolarHBondContact CG-O 3.47Å; K267-A280 PolarHBondContact NZ-O 3.19Å; K267-D281 VanDerWaalsContact NZ-C 3.26Å; K267-D281 PolarHBondContact NZ-O 2.95Å
268	P	98.4	Very high	97.2	Very high	51 Å²	51	49.6 Å²	49.6	33%	0.331	26%	0.263	S	S	.	.			trans	-59.2	147.5	172.4	-24.4	34	0	0	0	111.8	G252 T270 S271 A274	G252-P268 WeakPolarHBondContact O-CD 3.42Å; P268-T270 PolarHBondContact O-N 3.43Å; P268-T270 VanDerWaalsContact O-N 3.17Å; P268-S271 WeakPolarHBondContact O-CB 3.46Å; P268-S271 PolarHBondContact O-N 2.96Å; P268-S271 PolarHBondContact O-OG 3.33Å; P268-A274 WeakPolarHBondContact O-CB 3.42Å
269	I	98	Very high	97.2	Very high	62 Å²	62	49.4 Å²	49.4	32%	0.318	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.3	173.7	-171.7	59.8	0	0	0	113.1	R275 A280 K333	I269-R275 WeakPolarHBondContact O-CD 3.43Å; I269-R275 PolarHBondContact O-NH1 3.49Å; I269-A280 HydrophobicContact CB-CB 4.15Å; I269-A280 HydrophobicContact CD1-CB 3.88Å; I269-K333 HydrophobicContact CB-CD 4.46Å; I269-K333 HydrophobicContact CG1-CD 4.22Å; I269-K333 HydrophobicContact CG2-CD 3.46Å; I269-K333 VanDerWaalsContact CG2-CD 3.46Å
270	T	98.7	Very high	97.2	Very high	36 Å²	36	43.1 Å²	43.1	22%	0.221	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.6	173.2	50.8	0	0	0	0	113.4	P268 K333 D336	P268-T270 PolarHBondContact O-N 3.43Å; P268-T270 VanDerWaalsContact O-N 3.17Å; T270-K333 HydrophobicContact CG2-CB 4.13Å; T270-K333 HydrophobicContact CG2-CD 4.16Å; T270-K333 HydrophobicContact CG2-CG 4.42Å; T270-D336 WeakPolarHBondContact CB-OD2 3.11Å; T270-D336 PolarHBondContact O-N 2.68Å; T270-D336 PolarHBondContact OG1-OD2 2.82Å
271	S	98.7	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-67.1	147.3	178.4	69.6	0	0	0	0	111.7	G252 W253 P268 V273 A274 R275	G252-S271 WeakPolarHBondContact O-CB 3.47Å; W253-S271 CarbonylContact O-C 3.46Å; W253-S271 VanDerWaalsContact O-CA 3.24Å; W253-S271 WeakPolarHBondContact O-CA 3.44Å; P268-S271 WeakPolarHBondContact O-CB 3.46Å; P268-S271 PolarHBondContact O-N 2.96Å; P268-S271 PolarHBondContact O-OG 3.33Å; S271-V273 VanDerWaalsContact C-N 3.33Å; S271-V273 PolarHBondContact O-N 2.95Å; S271-A274 WeakPolarHBondContact O-CA 3.37Å; S271-A274 WeakPolarHBondContact O-CB 3.3Å; S271-A274 PolarHBondContact O-N 3.2Å; S271-A274 WeakPolarHBondContact OG-CB 3.49Å; S271-A274 PolarHBondContact OG-N 2.77Å; S271-R275 WeakPolarHBondContact O-CG 3.47Å; S271-R275 PolarHBondContact O-N 3.38Å
272	H	98.5	Very high	97.3	Very high	40 Å²	40	48.9 Å²	48.9	19%	0.185	27%	0.265	C	S	.	.	H	α-helix	trans	-51.9	-48.7	-177.2	-172.7	51.8	0	0	0	112.9	W253 I254 A274 R275 M276 D335 V337	W253-H272 PolarHBondContact O-N 2.89Å; I254-H272 HydrophobicContact CD1-CB 4.4Å; I254-H272 PolarHBondContact O-N 3.03Å; H272-A274 VanDerWaalsContact C-N 3.32Å; H272-A274 PolarHBondContact O-N 3.46Å; H272-R275 PolarHBondContact O-N 3.17Å; H272-R275 VanDerWaalsContact O-N 3.13Å; H272-M276 WeakPolarHBondContact O-CG 3.42Å; H272-M276 PolarHBondContact O-N 3.19Å; H272-D335 VanDerWaalsContact CA-OD1 3.27Å; H272-D335 WeakPolarHBondContact CA-OD1 3.44Å; H272-D335 IonicContact CE1-OD2 3.73Å; H272-D335 IonicContact CG-OD2 3.18Å; H272-D335 PolarHBondContact N-OD1 2.95Å; H272-D335 IonicContact ND1-OD1 2.78Å; H272-D335 IonicContact ND1-OD2 3.81Å; H272-D335 PolarHBondContact ND1-OD2 3.17Å; H272-V337 HydrophobicContact CB-CB 4.13Å
273	V	98.3	Very high	97	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-46	176.6	171.3	0	0	0	0	111.2	I254 R256 K267 S271 R275 M276 V277	I254-V273 WeakPolarHBondContact O-CG2 3.46Å; I254-V273 PolarHBondContact O-N 2.86Å; R256-V273 HydrophobicContact CG-CG2 3.65Å; K267-V273 HydrophobicContact CD-CB 4.22Å; K267-V273 HydrophobicContact CD-CG1 3.94Å; S271-V273 VanDerWaalsContact C-N 3.33Å; S271-V273 PolarHBondContact O-N 2.95Å; V273-R275 VanDerWaalsContact C-N 3.3Å; V273-R275 PolarHBondContact O-N 3.06Å; V273-M276 PolarHBondContact O-N 3.44Å; V273-V277 HydrophobicContact CG1-CG2 4.03Å; V273-V277 WeakPolarHBondContact O-CB 3.43Å; V273-V277 VanDerWaalsContact O-CG2 3.28Å; V273-V277 WeakPolarHBondContact O-CG2 3.42Å; V273-V277 PolarHBondContact O-N 2.91Å
274	A	98	Very high	96.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-35.6	179.6	0	0	0	0	0	112.4	K267 P268 S271 H272 G278 S279	K267-A274 HydrophobicContact CD-CB 4.28Å; K267-A274 HydrophobicContact CG-CB 4.49Å; P268-A274 WeakPolarHBondContact O-CB 3.42Å; S271-A274 WeakPolarHBondContact O-CA 3.37Å; S271-A274 WeakPolarHBondContact O-CB 3.3Å; S271-A274 PolarHBondContact O-N 3.2Å; S271-A274 WeakPolarHBondContact OG-CB 3.49Å; S271-A274 PolarHBondContact OG-N 2.77Å; H272-A274 VanDerWaalsContact C-N 3.32Å; H272-A274 PolarHBondContact O-N 3.46Å; A274-G278 WeakPolarHBondContact O-CA 3.12Å; A274-G278 PolarHBondContact O-N 3.01Å; A274-S279 VanDerWaalsContact CA-O 3.28Å; A274-S279 WeakPolarHBondContact CA-O 3.35Å; A274-S279 WeakPolarHBondContact CB-O 3.15Å; A274-S279 PolarHBondContact O-N 2.93Å
275	R	97.8	Very high	96.6	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.011	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-42	175.4	-56.7	-43.9	-69.3	165	-2.4	112	I269 S271 H272 V273 R324 S329 D331 K333 D335	I269-R275 WeakPolarHBondContact O-CD 3.43Å; I269-R275 PolarHBondContact O-NH1 3.49Å; S271-R275 WeakPolarHBondContact O-CG 3.47Å; S271-R275 PolarHBondContact O-N 3.38Å; H272-R275 PolarHBondContact O-N 3.17Å; H272-R275 VanDerWaalsContact O-N 3.13Å; V273-R275 VanDerWaalsContact C-N 3.3Å; V273-R275 PolarHBondContact O-N 3.06Å; R275-R324 HydrophobicContact CB-CB 4.25Å; R275-R324 PolarHBondContact NE-O 3.41Å; R275-R324 PolarHBondContact NH2-O 3.44Å; R275-R324 WeakPolarHBondContact O-CD 3.4Å; R275-S329 PolarHBondContact NH2-OG 3.34Å; R275-D331 IonicContact CZ-OD1 3.25Å; R275-D331 IonicContact CZ-OD2 3.59Å; R275-D331 IonicContact NH1-OD1 3.92Å; R275-D331 IonicContact NH1-OD2 3.96Å; R275-D331 PolarHBondContact NH1-OD2 3.29Å; R275-D331 IonicContact NH2-OD1 3.79Å; R275-D331 PolarHBondContact NH2-OD1 3.15Å; R275-D331 IonicContact NH2-OD2 2.66Å; R275-K333 PolarHBondContact NH2-O 3.21Å; R275-D335 HydrophobicContact CB-CB 4.39Å; R275-D335 HydrophobicContact CG-CB 3.74Å
276	M	97.7	Very high	96.5	Very high	31 Å²	31	49.7 Å²	49.7	15%	0.153	29%	0.287	C	S	.	.	H	α-helix	trans	-73.7	-39.6	-178.7	-62.3	-57	97.3	0	0	112.4	H272 V273 M321 M325	H272-M276 WeakPolarHBondContact O-CG 3.42Å; H272-M276 PolarHBondContact O-N 3.19Å; V273-M276 PolarHBondContact O-N 3.44Å; M276-M321 HydrophobicContact CE-CB 3.93Å; M276-M321 HydrophobicContact SD-CB 3.75Å; M276-M321 HydrophobicContact SD-CG 3.94Å; M276-M321 HydrophobicContact SD-SD 3.99Å; M276-M325 HydrophobicContact CE-CG 3.53Å; M276-M325 HydrophobicContact CE-SD 3.98Å
277	V	96.6	Very high	96.3	Very high	10 Å²	10	48.7 Å²	48.7	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-73.9	-39.1	177.7	171.2	0	0	0	0	111.3	V273 A284 K287	V273-V277 HydrophobicContact CG1-CG2 4.03Å; V273-V277 WeakPolarHBondContact O-CB 3.43Å; V273-V277 VanDerWaalsContact O-CG2 3.28Å; V273-V277 WeakPolarHBondContact O-CG2 3.42Å; V273-V277 PolarHBondContact O-N 2.91Å; V277-A284 HydrophobicContact CG1-CB 3.9Å; V277-A284 WeakPolarHBondContact CG1-O 3.47Å; V277-K287 PolarHBondContact O-N 3.13Å
278	G	94.7	Very high	96.3	Very high	38 Å²	38	51.3 Å²	51.3	39%	0.392	29%	0.286	S	S	.	.	S	Bend	trans	92.1	10.8	-172.5	0	0	0	0	0	114.6	A274	A274-G278 WeakPolarHBondContact O-CA 3.12Å; A274-G278 PolarHBondContact O-N 3.01Å
279	S	95.5	Very high	96.2	Very high	27 Å²	27	54.4 Å²	54.4	19%	0.189	29%	0.294	C	S	.	.			trans	-147.4	148.3	174.8	-177.2	0	0	0	0	111.4	K267 A274 D281	K267-S279 WeakPolarHBondContact CE-O 3.14Å; A274-S279 VanDerWaalsContact CA-O 3.28Å; A274-S279 WeakPolarHBondContact CA-O 3.35Å; A274-S279 WeakPolarHBondContact CB-O 3.15Å; A274-S279 PolarHBondContact O-N 2.93Å; S279-D281 WeakPolarHBondContact OG-CB 3.17Å; S279-D281 VanDerWaalsContact OG-CG 3.26Å; S279-D281 PolarHBondContact OG-N 2.83Å; S279-D281 PolarHBondContact OG-OD2 3.27Å
280	A	95.9	Very high	96.2	Very high	27 Å²	27	52.2 Å²	52.2	22%	0.223	28%	0.283	C	S	.	.			trans	-83.4	-14.3	168.5	0	0	0	0	0	112.6	K267 I269 Y282	K267-A280 WeakPolarHBondContact CE-O 3.23Å; K267-A280 WeakPolarHBondContact CG-O 3.47Å; K267-A280 PolarHBondContact NZ-O 3.19Å; I269-A280 HydrophobicContact CB-CB 4.15Å; I269-A280 HydrophobicContact CD1-CB 3.88Å; A280-Y282 PolarHBondContact O-N 3.27Å
281	D	96.9	Very high	96.2	Very high	116 Å²	116	50.5 Å²	50.5	62%	0.62	27%	0.272	S	S	*	.	S	Bend	trans	-61.1	135.9	-179.1	-58	-33.7	0	0	0	110.6	K267 S279 D283 A284	K267-D281 VanDerWaalsContact NZ-C 3.26Å; K267-D281 PolarHBondContact NZ-O 2.95Å; S279-D281 WeakPolarHBondContact OG-CB 3.17Å; S279-D281 VanDerWaalsContact OG-CG 3.26Å; S279-D281 PolarHBondContact OG-N 2.83Å; S279-D281 PolarHBondContact OG-OD2 3.27Å; D281-D283 PolarHBondContact O-N 2.94Å; D281-A284 HydrophobicContact CB-CB 4.22Å; D281-A284 WeakPolarHBondContact O-CB 3.37Å; D281-A284 PolarHBondContact O-N 2.89Å
282	Y	95.7	Very high	96.1	Very high	118 Å²	118	52.7 Å²	52.7	46%	0.463	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	131.9	179.2	179.7	-102.6	0	0	0	111.2	E263 K265 A280 A284	E263-Y282 HydrophobicContact CB-CD2 4.39Å; E263-Y282 HydrophobicContact CB-CE2 4.04Å; E263-Y282 HydrophobicContact CG-CD2 4.22Å; E263-Y282 HydrophobicContact CG-CE2 4.38Å; E263-Y282 WeakPolarHBondContact O-CE2 3.2Å; K265-Y282 HydrophobicContact CB-CD2 4.34Å; K265-Y282 HydrophobicContact CG-CD2 3.94Å; K265-Y282 HydrophobicContact CG-CE2 4.04Å; K265-Y282 HydrophobicContact CG-CG 4.31Å; A280-Y282 PolarHBondContact O-N 3.27Å; Y282-A284 PolarHBondContact O-N 2.68Å
283	D	91.2	Very high	96.1	Very high	122 Å²	122	51 Å²	51	65%	0.652	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	29.7	176.3	-159.9	30.1	0	0	0	113.5	E263 D281	E263-D283 PolarHBondContact OE1-N 2.99Å; D281-D283 PolarHBondContact O-N 2.94Å
284	A	94.3	Very high	96	Very high	21 Å²	21	50.8 Å²	50.8	17%	0.174	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-68.5	137.5	175.2	0	0	0	0	0	110.7	V277 D281 Y282 S286	V277-A284 HydrophobicContact CG1-CB 3.9Å; V277-A284 WeakPolarHBondContact CG1-O 3.47Å; D281-A284 HydrophobicContact CB-CB 4.22Å; D281-A284 WeakPolarHBondContact O-CB 3.37Å; D281-A284 PolarHBondContact O-N 2.89Å; Y282-A284 PolarHBondContact O-N 2.68Å; A284-S286 PolarHBondContact O-N 3.2Å
285	P	93.6	Very high	96.1	Very high	119 Å²	119	51 Å²	51	77%	0.773	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-65.6	134.2	177.3	27.3	-34.1	0	0	0	110.6	K287	P285-K287 PolarHBondContact O-N 3.44Å
286	S	93.9	Very high	96.1	Very high	43 Å²	43	51.2 Å²	51.2	30%	0.301	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-62.2	126.6	174.7	-67.9	0	0	0	0	110.7	A284 Y288	A284-S286 PolarHBondContact O-N 3.2Å; S286-Y288 VanDerWaalsContact C-N 3.28Å; S286-Y288 PolarHBondContact O-N 3.41Å
287	K	92.9	Very high	96.2	Very high	135 Å²	135	50.3 Å²	50.3	59%	0.587	27%	0.269	S	S	*	.	S	Bend	trans	-62.8	-36.6	177.5	-173.4	178.3	-179.9	176.2	0	112.6	V277 P285 F320	V277-K287 PolarHBondContact O-N 3.13Å; P285-K287 PolarHBondContact O-N 3.44Å; K287-F320 HydrophobicContact CB-CE1 4.48Å; K287-F320 HydrophobicContact CB-CE2 4.38Å; K287-F320 HydrophobicContact CB-CZ 4.01Å; K287-F320 HydrophobicContact CD-CD2 4.18Å; K287-F320 HydrophobicContact CD-CE2 3.5Å; K287-F320 HydrophobicContact CD-CZ 3.97Å; K287-F320 HydrophobicContact CG-CE2 4.42Å
288	Y	96.7	Very high	96.2	Very high	62 Å²	62	51.2 Å²	51.2	24%	0.243	28%	0.281	C	S	.	.	S	Bend	trans	-131.7	146.6	175.6	-65.4	-71.5	0	0	0	109.7	S286 K316 N317 F320 M321	S286-Y288 VanDerWaalsContact C-N 3.28Å; S286-Y288 PolarHBondContact O-N 3.41Å; Y288-K316 HydrophobicContact CE1-CD 4.2Å; Y288-K316 HydrophobicContact CE1-CG 4.17Å; Y288-N317 HydrophobicContact CD1-CB 4.42Å; Y288-N317 VanDerWaalsContact CD1-OD1 3.22Å; Y288-N317 WeakPolarHBondContact CD1-OD1 3.34Å; Y288-N317 HydrophobicContact CG-CB 4.34Å; Y288-F320 HydrophobicContact CD2-CB 3.53Å; Y288-F320 AromaticContact CD2-CD1 3.62Å; Y288-F320 HydrophobicContact CD2-CD1 3.62Å; Y288-F320 AromaticContact CD2-CD2 3.64Å; Y288-F320 HydrophobicContact CD2-CD2 3.64Å; Y288-F320 HydrophobicContact CD2-CE1 4.21Å; Y288-F320 HydrophobicContact CD2-CE2 4.21Å; Y288-F320 AromaticContact CD2-CG 3.3Å; Y288-F320 HydrophobicContact CD2-CG 3.3Å; Y288-F320 HydrophobicContact CD2-CZ 4.48Å; Y288-F320 HydrophobicContact CE2-CB 3.65Å; Y288-F320 HydrophobicContact CE2-CD1 4.31Å; Y288-F320 AromaticContact CE2-CD2 3.47Å; Y288-F320 HydrophobicContact CE2-CD2 3.47Å; Y288-F320 VanDerWaalsContact CE2-CD2 3.47Å; Y288-F320 HydrophobicContact CE2-CE2 4.18Å; Y288-F320 AromaticContact CE2-CG 3.56Å; Y288-F320 HydrophobicContact CE2-CG 3.56Å; Y288-M321 VanDerWaalsContact O-CE 3.31Å; Y288-M321 WeakPolarHBondContact O-CE 3.28Å
289	K	96.6	Very high	96.3	Very high	116 Å²	116	53.2 Å²	53.2	50%	0.504	29%	0.285	S	S	.	.			trans	-113.7	150.7	176.6	-65.7	-173.3	177.6	-172.9	0	110.5	V219 N317	V219-K289 HydrophobicContact CB-CB 4.48Å; V219-K289 VanDerWaalsContact CG1-C 3.46Å; V219-K289 HydrophobicContact CG1-CB 3.8Å; V219-K289 WeakPolarHBondContact CG1-O 3.33Å; V219-K289 HydrophobicContact CG2-CB 3.76Å; V219-K289 HydrophobicContact CG2-CD 4.06Å; K289-N317 PolarHBondContact O-ND2 3.27Å
290	I	98	Very high	96.2	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.077	32%	0.316	C	S	.	.			trans	-140.3	154.3	174.6	57.4	172.2	0	0	0	108.1	P210 R292 F308 A310 N317 F318 M321	P210-I290 WeakPolarHBondContact CD-O 3.23Å; I290-R292 HydrophobicContact CD1-CG 3.8Å; I290-R292 HydrophobicContact CG1-CG 4.06Å; I290-F308 HydrophobicContact CD1-CZ 4.12Å; I290-A310 HydrophobicContact CB-CB 4.16Å; I290-A310 HydrophobicContact CD1-CB 3.69Å; I290-A310 HydrophobicContact CG1-CB 4.28Å; I290-N317 HydrophobicContact CG2-CB 4.04Å; I290-F318 HydrophobicContact CB-CE1 4.25Å; I290-F318 HydrophobicContact CG2-CD1 3.77Å; I290-F318 HydrophobicContact CG2-CE1 3.6Å; I290-M321 HydrophobicContact CD1-CE 4.26Å; I290-M321 HydrophobicContact CD1-SD 3.6Å; I290-M321 VanDerWaalsContact CD1-SD 3.6Å; I290-M321 HydrophobicContact CG1-CE 4.12Å; I290-M321 HydrophobicContact CG1-SD 4.13Å; I290-M321 HydrophobicContact CG2-CE 4.07Å; I290-M321 HydrophobicContact CG2-SD 4.26Å
291	V	98.3	Very high	96.3	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	103.6	171.2	176.6	0	0	0	0	108.3	N209 P210 R216 V219 A220 Q293 A310 Y311	N209-V291 WeakPolarHBondContact OD1-CA 3.34Å; P210-V291 HydrophobicContact CG-CG2 4.11Å; R216-V291 HydrophobicContact CB-CG2 4.05Å; R216-V291 HydrophobicContact CG-CG1 4.43Å; R216-V291 HydrophobicContact CG-CG2 4.25Å; R216-V291 VanDerWaalsContact NH2-CG1 3.28Å; V219-V291 HydrophobicContact CB-CG2 4.04Å; V219-V291 HydrophobicContact CG1-CG2 3.94Å; A220-V291 HydrophobicContact CB-CB 4.42Å; A220-V291 HydrophobicContact CB-CG2 3.97Å; V291-Q293 HydrophobicContact CG1-CG 4.14Å; V291-A310 CarbonylContact O-C 3.5Å; V291-A310 WeakPolarHBondContact O-CA 3.43Å; V291-Y311 PolarHBondContact N-O 3.45Å; V291-Y311 PolarHBondContact O-N 2.73Å
292	R	97.7	Very high	96.2	Very high	47 Å²	47	60.6 Å²	60.6	18%	0.177	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	137.4	177.9	-67.5	-177.9	-71.5	170	-12.8	110.8	D205 G206 N209 I290 F308 A310	D205-R292 IonicContact OD1-CZ 3.86Å; D205-R292 IonicContact OD1-NE 3.58Å; D205-R292 IonicContact OD1-NH1 3.56Å; D205-R292 PolarHBondContact OD1-NH1 3.34Å; G206-R292 VanDerWaalsContact CA-CZ 3.46Å; N209-R292 PolarHBondContact ND2-O 2.84Å; N209-R292 PolarHBondContact OD1-N 3.05Å; I290-R292 HydrophobicContact CD1-CG 3.8Å; I290-R292 HydrophobicContact CG1-CG 4.06Å; R292-F308 HydrophobicContact CG-CE2 4.1Å; R292-F308 HydrophobicContact CG-CZ 4.31Å; R292-A310 HydrophobicContact CG-CB 4.22Å
293	Q	96.9	Very high	96.3	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.014	34%	0.34	C	S	.	.			trans	-143.2	28.1	177.8	-57.2	-172.1	9	0	0	112.4	S59 V60 S62 T64 Y70 H158 K160 V291 I309 Y311	S59-Q293 PolarHBondContact O-NE2 3.31Å; S59-Q293 VanDerWaalsContact O-NE2 3.07Å; S59-Q293 PolarHBondContact O-OE1 3.23Å; V60-Q293 PolarHBondContact O-NE2 3.46Å; S62-Q293 PolarHBondContact O-NE2 3.23Å; S62-Q293 VanDerWaalsContact O-NE2 3.11Å; T64-Q293 HydrophobicContact CG2-CB 4.38Å; Y70-Q293 PolarHBondContact OH-O 2.93Å; H158-Q293 PolarHBondContact CE1-OE1 2.77Å; H158-Q293 VanDerWaalsContact CE1-OE1 3.26Å; K160-Q293 VanDerWaalsContact NZ-CD 3.34Å; V291-Q293 HydrophobicContact CG1-CG 4.14Å; Q293-I309 VanDerWaalsContact C-CG2 3.49Å; Q293-I309 HydrophobicContact CB-CG2 4.01Å; Q293-I309 PolarHBondContact N-O 2.95Å; Q293-I309 WeakPolarHBondContact O-CG2 3.24Å; Q293-Y311 HydrophobicContact CG-CD2 4.47Å
294	S	97.9	Very high	96.7	Very high	13 Å²	13	54 Å²	54	9%	0.091	31%	0.312	C	S	.	.			trans	-60.4	153.1	177.9	-36.6	0	0	0	0	112.2	D205 L307 F308 I309	D205-S294 VanDerWaalsContact OD2-CB 3.23Å; D205-S294 WeakPolarHBondContact OD2-CB 3.16Å; D205-S294 PolarHBondContact OD2-OG 2.85Å; S294-L307 WeakPolarHBondContact CA-O 3.47Å; S294-L307 VanDerWaalsContact CB-O 3.23Å; S294-L307 WeakPolarHBondContact CB-O 3.4Å; S294-F308 WeakPolarHBondContact OG-CA 3.41Å; S294-F308 WeakPolarHBondContact OG-CD2 3.48Å; S294-I309 PolarHBondContact OG-N 2.86Å
295	Q	98.5	Very high	96.9	Very high	5 Å²	5	53 Å²	53	2%	0.023	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.7	167.6	-69.3	-172.2	-35.2	0	0	111.5	K65 Y70 G191 L307	K65-Q295 PolarHBondContact O-NE2 3.16Å; Y70-Q295 WeakPolarHBondContact OH-CB 3.36Å; Y70-Q295 PolarHBondContact OH-N 2.79Å; G191-Q295 VanDerWaalsContact C-OE1 3.3Å; Q295-L307 PolarHBondContact N-O 3Å; Q295-L307 PolarHBondContact O-N 2.76Å
296	P	98.7	Very high	97.2	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.045	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.7	144.7	163.5	-35.1	39.2	0	0	0	113.6	G191 W192 R198 L200 G305	G191-P296 WeakPolarHBondContact CA-O 3.49Å; W192-P296 HydrophobicContact CD2-CB 4.37Å; W192-P296 HydrophobicContact CZ2-CB 4.01Å; W192-P296 PolarHBondContact N-O 3.26Å; W192-P296 VanDerWaalsContact N-O 3.13Å; W192-P296 WeakPolarHBondContact O-CD 3.26Å; R198-P296 WeakPolarHBondContact O-CG 3.25Å; L200-P296 HydrophobicContact CD1-CB 4.3Å; L200-P296 HydrophobicContact CD2-CB 3.9Å; L200-P296 HydrophobicContact CD2-CG 4.25Å; L200-P296 HydrophobicContact CG-CB 3.81Å; L200-P296 HydrophobicContact CG-CG 4.22Å; P296-G305 CarbonylContact C-O 3.15Å; P296-G305 VanDerWaalsContact CA-O 3.25Å; P296-G305 WeakPolarHBondContact CA-O 3.32Å
297	Y	98.7	Very high	97.4	Very high	12 Å²	12	46.4 Å²	46.4	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	169.4	169.4	80.1	-77.7	0	0	0	111.5	I189 W192 K234 W235 A304 G305 L307	I189-Y297 HydrophobicContact CG2-CD1 4.31Å; I189-Y297 HydrophobicContact CG2-CD2 3.78Å; I189-Y297 HydrophobicContact CG2-CG 3.58Å; W192-Y297 VanDerWaalsContact CZ3-C 3.44Å; K234-Y297 HydrophobicContact CD-CE2 4.42Å; K234-Y297 VanDerWaalsContact CE-CZ 3.43Å; K234-Y297 WeakPolarHBondContact CE-OH 3.47Å; K234-Y297 HydrophobicContact CG-CE1 4Å; K234-Y297 HydrophobicContact CG-CE2 4.32Å; K234-Y297 WeakPolarHBondContact CG-OH 3.12Å; W235-Y297 WeakPolarHBondContact O-CE1 3.45Å; W235-Y297 PolarHBondContact O-OH 3.45Å; Y297-A304 WeakPolarHBondContact O-CA 3.42Å; Y297-G305 PolarHBondContact N-O 3.34Å; Y297-G305 PolarHBondContact O-N 3.34Å; Y297-G305 VanDerWaalsContact O-N 3.11Å; Y297-L307 HydrophobicContact CD1-CB 4.06Å
298	G	97.8	Very high	97.7	Very high	29 Å²	29	41.3 Å²	41.3	30%	0.299	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	102.3	-164.6	167.4	0	0	0	0	0	115.3	W192 D303	W192-G298 VanDerWaalsContact CH2-O 3.3Å; W192-G298 WeakPolarHBondContact CH2-O 3.25Å; G298-D303 WeakPolarHBondContact CA-O 3.35Å
299	T	97.3	Very high	97.8	Very high	80 Å²	80	38.4 Å²	38.4	49%	0.491	23%	0.225	S	C	.	.			trans	-137.1	154	-179.8	64.9	0	0	0	0	110.3	S301 G302 D303	T299-S301 PolarHBondContact O-N 3.33Å; T299-S301 PolarHBondContact OG1-OG 2.92Å; T299-G302 CarbonylContact O-C 3.52Å; T299-G302 PolarHBondContact O-N 3.32Å; T299-G302 VanDerWaalsContact O-O 3.08Å; T299-G302 PolarHBondContact OG1-N 3.05Å; T299-D303 PolarHBondContact N-O 2.76Å
300	L	93.3	Very high	97.9	Very high	158 Å²	158	32.9 Å²	32.9	83%	0.827	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-24.2	177.8	-174.2	60.1	0	0	0	113	G302	L300-G302 VanDerWaalsContact C-N 3.32Å
301	S	96.7	Very high	97.9	Very high	122 Å²	122	32.1 Å²	32.1	85%	0.853	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.5	176.8	54.9	0	0	0	0	113.8	T299	T299-S301 PolarHBondContact O-N 3.33Å; T299-S301 PolarHBondContact OG1-OG 2.92Å
302	G	96.3	Very high	97.9	Very high	45 Å²	45	32.1 Å²	32.1	46%	0.464	20%	0.198	S	C	.	.	S	Bend	trans	-137.5	-150.8	-179.3	0	0	0	0	0	111.3	T299 L300	T299-G302 CarbonylContact O-C 3.52Å; T299-G302 PolarHBondContact O-N 3.32Å; T299-G302 VanDerWaalsContact O-O 3.08Å; T299-G302 PolarHBondContact OG1-N 3.05Å; L300-G302 VanDerWaalsContact C-N 3.32Å
303	D	98	Very high	97.9	Very high	92 Å²	92	31 Å²	31	49%	0.492	20%	0.198	S	C	.	.			trans	-73	129.8	174.6	-68.8	-25.6	0	0	0	110.1	I236 G298 T299	I236-D303 HydrophobicContact CD1-CB 4.1Å; I236-D303 WeakPolarHBondContact CD1-OD2 3.23Å; I236-D303 HydrophobicContact CG1-CB 4.16Å; I236-D303 HydrophobicContact CG2-CB 4.19Å; G298-D303 WeakPolarHBondContact CA-O 3.35Å; T299-D303 PolarHBondContact N-O 2.76Å
304	A	98.6	Very high	98	Very high	9 Å²	9	32.9 Å²	32.9	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.4	171.3	0	0	0	0	0	110.2	L200 H237 Y297	L200-A304 HydrophobicContact CD1-CB 3.93Å; H237-A304 PolarHBondContact N-O 2.96Å; Y297-A304 WeakPolarHBondContact O-CA 3.42Å
305	G	98.7	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-138.3	178.4	0	0	0	0	0	111.1	W235 P296 Y297	W235-G305 WeakPolarHBondContact O-CA 3.41Å; P296-G305 CarbonylContact C-O 3.15Å; P296-G305 VanDerWaalsContact CA-O 3.25Å; P296-G305 WeakPolarHBondContact CA-O 3.32Å; Y297-G305 PolarHBondContact N-O 3.34Å; Y297-G305 PolarHBondContact O-N 3.34Å; Y297-G305 VanDerWaalsContact O-N 3.11Å
306	L	98.8	Very high	98	Very high	19 Å²	19	37.2 Å²	37.2	10%	0.099	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.2	-176.4	-169.9	73.1	0	0	0	110.1	D199 W235 F308	D199-L306 HydrophobicContact CB-CD1 4.38Å; W235-L306 HydrophobicContact CB-CB 4.45Å; W235-L306 WeakPolarHBondContact CB-O 3.38Å; W235-L306 PolarHBondContact N-O 3.2Å; W235-L306 PolarHBondContact O-N 2.99Å; W235-L306 VanDerWaalsContact O-N 3.16Å; L306-F308 HydrophobicContact CD2-CB 4.37Å; L306-F308 HydrophobicContact CD2-CD2 4.32Å
307	L	98.8	Very high	98	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	105.9	158.3	-161.5	93.6	0	0	0	107.8	Y70 I189 V232 K234 S294 Q295 Y297	Y70-L307 HydrophobicContact CD1-CD2 3.36Å; Y70-L307 HydrophobicContact CD2-CB 4.21Å; Y70-L307 HydrophobicContact CD2-CD2 3.21Å; Y70-L307 HydrophobicContact CD2-CG 4.32Å; Y70-L307 HydrophobicContact CE1-CD2 3.9Å; Y70-L307 HydrophobicContact CE2-CB 4.12Å; Y70-L307 HydrophobicContact CE2-CD2 3.77Å; Y70-L307 HydrophobicContact CG-CD2 2.94Å; Y70-L307 HydrophobicContact CG-CG 4.33Å; I189-L307 HydrophobicContact CD1-CD1 3.63Å; I189-L307 HydrophobicContact CG2-CB 4.38Å; I189-L307 HydrophobicContact CG2-CD1 4.35Å; V232-L307 HydrophobicContact CG1-CD2 4.2Å; K234-L307 HydrophobicContact CB-CD1 3.79Å; K234-L307 HydrophobicContact CG-CD1 4.08Å; S294-L307 WeakPolarHBondContact CA-O 3.47Å; S294-L307 VanDerWaalsContact CB-O 3.23Å; S294-L307 WeakPolarHBondContact CB-O 3.4Å; Q295-L307 PolarHBondContact N-O 3Å; Q295-L307 PolarHBondContact O-N 2.76Å; Y297-L307 HydrophobicContact CD1-CB 4.06Å
308	F	98.8	Very high	98	Very high	29 Å²	29	37.3 Å²	37.3	13%	0.127	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.5	179.5	-177.1	-100	0	0	0	109.6	V231 V232 Q233 I290 R292 S294 L306 A310	V231-F308 HydrophobicContact CG1-CD1 4.26Å; V231-F308 HydrophobicContact CG1-CE1 3.68Å; V232-F308 CarbonylContact C-O 3.56Å; V232-F308 VanDerWaalsContact CA-O 3.31Å; V232-F308 WeakPolarHBondContact CA-O 3.34Å; Q233-F308 HydrophobicContact CB-CB 4.32Å; Q233-F308 PolarHBondContact N-O 3.23Å; Q233-F308 PolarHBondContact O-N 2.91Å; I290-F308 HydrophobicContact CD1-CZ 4.12Å; R292-F308 HydrophobicContact CG-CE2 4.1Å; R292-F308 HydrophobicContact CG-CZ 4.31Å; S294-F308 WeakPolarHBondContact OG-CA 3.41Å; S294-F308 WeakPolarHBondContact OG-CD2 3.48Å; L306-F308 HydrophobicContact CD2-CB 4.37Å; L306-F308 HydrophobicContact CD2-CD2 4.32Å; F308-A310 HydrophobicContact CE1-CB 3.92Å; F308-A310 HydrophobicContact CZ-CB 3.81Å
309	I	98.7	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.9	165	-175.8	169	0	0	0	109.6	Y70 F156 H158 A230 V231 V232 Q293 S294 Y311	Y70-I309 HydrophobicContact CE1-CB 4.47Å; Y70-I309 HydrophobicContact CE1-CG2 3.74Å; F156-I309 HydrophobicContact CE1-CD1 3.87Å; F156-I309 HydrophobicContact CZ-CD1 4.46Å; H158-I309 HydrophobicContact CB-CD1 4.13Å; A230-I309 HydrophobicContact CB-CG1 4.5Å; V231-I309 VanDerWaalsContact O-CA 3.29Å; V231-I309 WeakPolarHBondContact O-CA 3.28Å; V232-I309 HydrophobicContact CG2-CB 4.31Å; V232-I309 HydrophobicContact CG2-CD1 3.83Å; V232-I309 HydrophobicContact CG2-CG1 3.85Å; Q293-I309 VanDerWaalsContact C-CG2 3.49Å; Q293-I309 HydrophobicContact CB-CG2 4.01Å; Q293-I309 PolarHBondContact N-O 2.95Å; Q293-I309 WeakPolarHBondContact O-CG2 3.24Å; S294-I309 PolarHBondContact OG-N 2.86Å; I309-Y311 HydrophobicContact CD1-CE1 4.47Å; I309-Y311 HydrophobicContact CD1-CE2 3.93Å; I309-Y311 WeakPolarHBondContact CD1-OH 3.36Å; I309-Y311 HydrophobicContact CG1-CE2 4.18Å
310	A	98.7	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.6	169.8	0	0	0	0	0	111.9	A230 V231 I290 V291 R292 F308 F318	A230-A310 CarbonylContact C-O 3.59Å; A230-A310 WeakPolarHBondContact CA-O 3.43Å; V231-A310 HydrophobicContact CG1-CB 3.96Å; V231-A310 PolarHBondContact N-O 2.91Å; V231-A310 PolarHBondContact O-N 2.89Å; I290-A310 HydrophobicContact CB-CB 4.16Å; I290-A310 HydrophobicContact CD1-CB 3.69Å; I290-A310 HydrophobicContact CG1-CB 4.28Å; V291-A310 CarbonylContact O-C 3.5Å; V291-A310 WeakPolarHBondContact O-CA 3.43Å; R292-A310 HydrophobicContact CG-CB 4.22Å; F308-A310 HydrophobicContact CE1-CB 3.92Å; F308-A310 HydrophobicContact CZ-CB 3.81Å; A310-F318 HydrophobicContact CB-CE1 4.08Å; A310-F318 VanDerWaalsContact O-CZ 3.27Å; A310-F318 WeakPolarHBondContact O-CZ 3.3Å
311	Y	98.8	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.4	177.3	-65.4	-81.4	0	0	0	111.4	S59 V60 H158 Y229 A230 V291 Q293 I309 F351	S59-Y311 PolarHBondContact OG-OH 3.4Å; V60-Y311 HydrophobicContact CB-CD1 4.39Å; V60-Y311 HydrophobicContact CB-CE1 4.41Å; V60-Y311 HydrophobicContact CG1-CD1 3.91Å; V60-Y311 HydrophobicContact CG1-CE1 4.4Å; V60-Y311 HydrophobicContact CG1-CG 4.04Å; V60-Y311 HydrophobicContact CG2-CD1 4.23Å; V60-Y311 HydrophobicContact CG2-CE1 3.92Å; H158-Y311 AromaticContact ND1-CE2 3.79Å; H158-Y311 AromaticContact ND1-CZ 3.74Å; H158-Y311 PolarHBondContact ND1-OH 2.84Å; Y229-Y311 CarbonylContact O-C 3.57Å; Y229-Y311 VanDerWaalsContact O-CA 3.31Å; Y229-Y311 WeakPolarHBondContact O-CA 3.42Å; A230-Y311 HydrophobicContact CB-CD1 3.75Å; A230-Y311 HydrophobicContact CB-CE1 3.76Å; V291-Y311 PolarHBondContact N-O 3.45Å; V291-Y311 PolarHBondContact O-N 2.73Å; Q293-Y311 HydrophobicContact CG-CD2 4.47Å; I309-Y311 HydrophobicContact CD1-CE1 4.47Å; I309-Y311 HydrophobicContact CD1-CE2 3.93Å; I309-Y311 WeakPolarHBondContact CD1-OH 3.36Å; I309-Y311 HydrophobicContact CG1-CE2 4.18Å; Y311-F351 HydrophobicContact CE1-CD1 4.07Å; Y311-F351 AromaticContact CE1-CD2 3.78Å; Y311-F351 HydrophobicContact CE1-CD2 3.78Å; Y311-F351 HydrophobicContact CE1-CE1 4.06Å; Y311-F351 AromaticContact CE1-CE2 3.79Å; Y311-F351 HydrophobicContact CE1-CE2 3.79Å; Y311-F351 AromaticContact CE1-CG 3.91Å; Y311-F351 HydrophobicContact CE1-CG 3.91Å; Y311-F351 AromaticContact CE1-CZ 3.9Å; Y311-F351 HydrophobicContact CE1-CZ 3.9Å; Y311-F351 WeakPolarHBondContact OH-CE1 3.45Å; Y311-F351 WeakPolarHBondContact OH-CZ 3.46Å
312	S	98.6	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	152.6	175.6	-162.3	0	0	0	0	111.7	V219 A220 Y229 D314 N317 F318	V219-S312 CarbonylContact O-C 3.57Å; V219-S312 WeakPolarHBondContact O-CA 3.21Å; A220-S312 CarbonylContact O-C 3.51Å; Y229-S312 PolarHBondContact N-O 3.48Å; Y229-S312 PolarHBondContact O-N 3.46Å; S312-D314 PolarHBondContact O-N 3.36Å; S312-D314 PolarHBondContact OG-O 3.3Å; S312-N317 PolarHBondContact OG-ND2 2.71Å; S312-N317 VanDerWaalsContact OG-ND2 3.16Å; S312-F318 VanDerWaalsContact CB-CZ 3.42Å
313	A	98	Very high	98.5	Very high	23 Å²	23	21.8 Å²	21.8	19%	0.19	11%	0.114	C	C	.	.	S	Bend	trans	-66.8	-16.3	174.2	0	0	0	0	0	113.7	V219 A220 I221 N222 Y229	V219-A313 PolarHBondContact O-N 2.89Å; A220-A313 PolarHBondContact O-N 3.16Å; I221-A313 VanDerWaalsContact O-CB 3.3Å; I221-A313 WeakPolarHBondContact O-CB 3.12Å; N222-A313 PolarHBondContact ND2-O 3.42Å; Y229-A313 WeakPolarHBondContact CD2-O 3.39Å; Y229-A313 VanDerWaalsContact CE2-O 3.29Å; Y229-A313 WeakPolarHBondContact CE2-O 3.48Å
314	D	98.4	Very high	98.5	Very high	42 Å²	42	20 Å²	20	23%	0.225	10%	0.101	C	C	.	.			trans	-154.2	137.4	-174.7	-165.9	-29.7	0	0	0	111.2	S312 K316 N317	S312-D314 PolarHBondContact O-N 3.36Å; S312-D314 PolarHBondContact OG-O 3.3Å; D314-K316 HydrophobicContact CB-CD 4.4Å; D314-K316 HydrophobicContact CB-CG 4.12Å; D314-K316 PolarHBondContact O-N 3.33Å; D314-K316 PolarHBondContact OD1-N 3.34Å; D314-K316 VanDerWaalsContact OD1-N 3.1Å; D314-K316 WeakPolarHBondContact OD2-CD 3.5Å; D314-K316 VanDerWaalsContact OD2-CE 3.32Å; D314-K316 WeakPolarHBondContact OD2-CE 3.27Å; D314-K316 IonicContact OD2-NZ 2.58Å; D314-K316 PolarHBondContact OD2-NZ 2.87Å; D314-N317 PolarHBondContact O-N 2.97Å
315	T	98.3	Very high	98.5	Very high	13 Å²	13	20.1 Å²	20.1	8%	0.08	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.6	-179.6	55.4	0	0	0	0	113.2	Y229 N317 F318 D319 Y348	Y229-T315 HydrophobicContact CD1-CG2 3.8Å; Y229-T315 HydrophobicContact CG-CG2 3.88Å; T315-N317 PolarHBondContact O-N 2.97Å; T315-F318 HydrophobicContact CG2-CD2 4.4Å; T315-F318 WeakPolarHBondContact O-CA 3.23Å; T315-F318 WeakPolarHBondContact O-CB 3.31Å; T315-F318 PolarHBondContact O-N 3.38Å; T315-D319 PolarHBondContact O-N 3.13Å; T315-Y348 HydrophobicContact CG2-CD2 4.16Å; T315-Y348 HydrophobicContact CG2-CE2 4.46Å
316	K	97.9	Very high	98.5	Very high	97 Å²	97	20.3 Å²	20.3	42%	0.422	10%	0.101	S	C	.	.	H	α-helix	trans	-55	-29.6	176.5	76.3	-172.9	175.5	-137.6	0	112.9	Y288 D314 D319 F320	Y288-K316 HydrophobicContact CE1-CD 4.2Å; Y288-K316 HydrophobicContact CE1-CG 4.17Å; D314-K316 HydrophobicContact CB-CD 4.4Å; D314-K316 HydrophobicContact CB-CG 4.12Å; D314-K316 PolarHBondContact O-N 3.33Å; D314-K316 PolarHBondContact OD1-N 3.34Å; D314-K316 VanDerWaalsContact OD1-N 3.1Å; D314-K316 WeakPolarHBondContact OD2-CD 3.5Å; D314-K316 VanDerWaalsContact OD2-CE 3.32Å; D314-K316 WeakPolarHBondContact OD2-CE 3.27Å; D314-K316 IonicContact OD2-NZ 2.58Å; D314-K316 PolarHBondContact OD2-NZ 2.87Å; K316-D319 PolarHBondContact O-N 3.36Å; K316-F320 WeakPolarHBondContact O-CB 3.33Å; K316-F320 PolarHBondContact O-N 3.03Å
317	N	98.3	Very high	98.5	Very high	17 Å²	17	20.1 Å²	20.1	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-66.9	-41.7	178.4	-66.8	27.5	0	0	0	110	Y288 K289 I290 S312 D314 T315 M321	Y288-N317 HydrophobicContact CD1-CB 4.42Å; Y288-N317 VanDerWaalsContact CD1-OD1 3.22Å; Y288-N317 WeakPolarHBondContact CD1-OD1 3.34Å; Y288-N317 HydrophobicContact CG-CB 4.34Å; K289-N317 PolarHBondContact O-ND2 3.27Å; I290-N317 HydrophobicContact CG2-CB 4.04Å; S312-N317 PolarHBondContact OG-ND2 2.71Å; S312-N317 VanDerWaalsContact OG-ND2 3.16Å; D314-N317 PolarHBondContact O-N 2.97Å; T315-N317 PolarHBondContact O-N 2.97Å; N317-M321 WeakPolarHBondContact O-CG 3.25Å
318	F	98.6	Very high	98.4	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-68.5	-47.4	173.5	-51.6	-41.9	0	0	0	110.9	V231 I290 A310 S312 T315 F320 M321 L322 Y348	V231-F318 HydrophobicContact CB-CD1 4.24Å; V231-F318 HydrophobicContact CB-CD2 4.1Å; V231-F318 HydrophobicContact CB-CE1 4.46Å; V231-F318 HydrophobicContact CB-CE2 4.32Å; V231-F318 HydrophobicContact CB-CG 4.06Å; V231-F318 HydrophobicContact CB-CZ 4.49Å; V231-F318 HydrophobicContact CG1-CD1 3.57Å; V231-F318 HydrophobicContact CG1-CD2 4.31Å; V231-F318 HydrophobicContact CG1-CE1 3.7Å; V231-F318 HydrophobicContact CG1-CE2 4.41Å; V231-F318 HydrophobicContact CG1-CG 3.9Å; V231-F318 HydrophobicContact CG1-CZ 4.12Å; I290-F318 HydrophobicContact CB-CE1 4.25Å; I290-F318 HydrophobicContact CG2-CD1 3.77Å; I290-F318 HydrophobicContact CG2-CE1 3.6Å; A310-F318 HydrophobicContact CB-CE1 4.08Å; A310-F318 VanDerWaalsContact O-CZ 3.27Å; A310-F318 WeakPolarHBondContact O-CZ 3.3Å; S312-F318 VanDerWaalsContact CB-CZ 3.42Å; T315-F318 HydrophobicContact CG2-CD2 4.4Å; T315-F318 WeakPolarHBondContact O-CA 3.23Å; T315-F318 WeakPolarHBondContact O-CB 3.31Å; T315-F318 PolarHBondContact O-N 3.38Å; F318-F320 VanDerWaalsContact C-N 3.29Å; F318-F320 PolarHBondContact O-N 3Å; F318-M321 PolarHBondContact O-N 2.88Å; F318-L322 WeakPolarHBondContact O-CB 3.46Å; F318-L322 WeakPolarHBondContact O-CG 3.4Å; F318-L322 PolarHBondContact O-N 3.47Å; F318-Y348 HydrophobicContact CB-CE1 3.7Å; F318-Y348 WeakPolarHBondContact CB-OH 3.34Å; F318-Y348 HydrophobicContact CD2-CD1 4.07Å; F318-Y348 AromaticContact CD2-CE1 3.77Å; F318-Y348 HydrophobicContact CD2-CE1 3.77Å; F318-Y348 HydrophobicContact CG-CE1 4.06Å
319	D	98.5	Very high	98.2	Very high	41 Å²	41	23 Å²	23	22%	0.219	12%	0.122	C	C	.	.	H	α-helix	trans	-56.4	-45.6	-178.3	-70.1	-42.2	0	0	0	111.3	R141 T315 K316 M321 L322 D323 Y348	R141-D319 IonicContact CZ-OD1 2.77Å; R141-D319 IonicContact NH1-OD1 2.67Å; R141-D319 IonicContact NH2-OD1 2.75Å; R141-D319 PolarHBondContact NH2-OD1 3Å; T315-D319 PolarHBondContact O-N 3.13Å; K316-D319 PolarHBondContact O-N 3.36Å; D319-M321 VanDerWaalsContact C-N 3.28Å; D319-M321 PolarHBondContact O-N 3Å; D319-L322 PolarHBondContact O-N 2.91Å; D319-D323 WeakPolarHBondContact O-CB 3.39Å; D319-D323 PolarHBondContact O-N 3.11Å; D319-Y348 PolarHBondContact OD1-OH 2.94Å
320	F	98.3	Very high	97.9	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-53.4	-43.6	175.8	170.1	-89.8	0	0	0	113.4	K287 Y288 K316 F318 R324	K287-F320 HydrophobicContact CB-CE1 4.48Å; K287-F320 HydrophobicContact CB-CE2 4.38Å; K287-F320 HydrophobicContact CB-CZ 4.01Å; K287-F320 HydrophobicContact CD-CD2 4.18Å; K287-F320 HydrophobicContact CD-CE2 3.5Å; K287-F320 HydrophobicContact CD-CZ 3.97Å; K287-F320 HydrophobicContact CG-CE2 4.42Å; Y288-F320 HydrophobicContact CD2-CB 3.53Å; Y288-F320 AromaticContact CD2-CD1 3.62Å; Y288-F320 HydrophobicContact CD2-CD1 3.62Å; Y288-F320 AromaticContact CD2-CD2 3.64Å; Y288-F320 HydrophobicContact CD2-CD2 3.64Å; Y288-F320 HydrophobicContact CD2-CE1 4.21Å; Y288-F320 HydrophobicContact CD2-CE2 4.21Å; Y288-F320 AromaticContact CD2-CG 3.3Å; Y288-F320 HydrophobicContact CD2-CG 3.3Å; Y288-F320 HydrophobicContact CD2-CZ 4.48Å; Y288-F320 HydrophobicContact CE2-CB 3.65Å; Y288-F320 HydrophobicContact CE2-CD1 4.31Å; Y288-F320 AromaticContact CE2-CD2 3.47Å; Y288-F320 HydrophobicContact CE2-CD2 3.47Å; Y288-F320 VanDerWaalsContact CE2-CD2 3.47Å; Y288-F320 HydrophobicContact CE2-CE2 4.18Å; Y288-F320 AromaticContact CE2-CG 3.56Å; Y288-F320 HydrophobicContact CE2-CG 3.56Å; K316-F320 WeakPolarHBondContact O-CB 3.33Å; K316-F320 PolarHBondContact O-N 3.03Å; F318-F320 VanDerWaalsContact C-N 3.29Å; F318-F320 PolarHBondContact O-N 3Å; F320-R324 VanDerWaalsContact CD2-CZ 3.42Å; F320-R324 PolarHBondContact O-NH1 2.98Å
321	M	98.4	Very high	97.8	Very high	13 Å²	13	35.8 Å²	35.8	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-76.1	-48.8	-177.3	-67.1	179.2	-171.3	0	0	110.7	M276 Y288 I290 N317 F318 D319 D323 R324 M325	M276-M321 HydrophobicContact CE-CB 3.93Å; M276-M321 HydrophobicContact SD-CB 3.75Å; M276-M321 HydrophobicContact SD-CG 3.94Å; M276-M321 HydrophobicContact SD-SD 3.99Å; Y288-M321 VanDerWaalsContact O-CE 3.31Å; Y288-M321 WeakPolarHBondContact O-CE 3.28Å; I290-M321 HydrophobicContact CD1-CE 4.26Å; I290-M321 HydrophobicContact CD1-SD 3.6Å; I290-M321 VanDerWaalsContact CD1-SD 3.6Å; I290-M321 HydrophobicContact CG1-CE 4.12Å; I290-M321 HydrophobicContact CG1-SD 4.13Å; I290-M321 HydrophobicContact CG2-CE 4.07Å; I290-M321 HydrophobicContact CG2-SD 4.26Å; N317-M321 WeakPolarHBondContact O-CG 3.25Å; F318-M321 PolarHBondContact O-N 2.88Å; D319-M321 VanDerWaalsContact C-N 3.28Å; D319-M321 PolarHBondContact O-N 3Å; M321-D323 PolarHBondContact O-N 3.48Å; M321-R324 WeakPolarHBondContact O-CB 3.28Å; M321-R324 PolarHBondContact O-N 2.84Å; M321-M325 WeakPolarHBondContact O-CG 3.33Å; M321-M325 PolarHBondContact O-N 2.68Å
322	L	98.7	Very high	97.7	Very high	7 Å²	7	38 Å²	38	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-36.5	-177.9	-63.4	-172.6	0	0	0	112.5	Y138 L148 V231 F318 D319 R324 M325 T326 Y348	Y138-L322 HydrophobicContact CE2-CD1 3.96Å; L148-L322 HydrophobicContact CD1-CB 3.83Å; L148-L322 HydrophobicContact CD1-CD2 3.94Å; L148-L322 HydrophobicContact CD1-CG 4.3Å; V231-L322 HydrophobicContact CG2-CD1 4.36Å; F318-L322 WeakPolarHBondContact O-CB 3.46Å; F318-L322 WeakPolarHBondContact O-CG 3.4Å; F318-L322 PolarHBondContact O-N 3.47Å; D319-L322 PolarHBondContact O-N 2.91Å; L322-R324 VanDerWaalsContact C-N 3.31Å; L322-R324 PolarHBondContact O-N 3.24Å; L322-M325 HydrophobicContact CD2-SD 4.09Å; L322-M325 PolarHBondContact O-N 2.66Å; L322-T326 PolarHBondContact O-N 2.81Å; L322-T326 PolarHBondContact O-OG1 2.89Å; L322-Y348 HydrophobicContact CD1-CE1 4.13Å; L322-Y348 WeakPolarHBondContact CD1-OH 3.5Å
323	D	98.6	Very high	97.7	Very high	30 Å²	30	41.7 Å²	41.7	16%	0.16	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-41.5	175.3	-68.1	-4.8	0	0	0	110.6	R139 R141 D319 M321 M325 T326 G327 D328	R139-D323 IonicContact CZ-OD1 2.96Å; R139-D323 IonicContact NH1-OD1 2.71Å; R139-D323 IonicContact NH2-OD1 3.68Å; R139-D323 PolarHBondContact NH2-OD1 2.93Å; R139-D323 IonicContact NH2-OD2 2.96Å; R139-D323 PolarHBondContact NH2-OD2 2.95Å; R139-D323 VanDerWaalsContact NH2-OD2 3.1Å; R141-D323 IonicContact CZ-OD1 3.66Å; R141-D323 VanDerWaalsContact CZ-OD1 3.27Å; R141-D323 IonicContact NE-OD1 3Å; R141-D323 PolarHBondContact NE-OD1 2.56Å; R141-D323 IonicContact NH2-OD1 3.69Å; R141-D323 PolarHBondContact NH2-OD1 2.93Å; D319-D323 WeakPolarHBondContact O-CB 3.39Å; D319-D323 PolarHBondContact O-N 3.11Å; M321-D323 PolarHBondContact O-N 3.48Å; D323-M325 VanDerWaalsContact C-N 3.27Å; D323-M325 PolarHBondContact O-N 3.25Å; D323-T326 PolarHBondContact O-N 3.2Å; D323-T326 PolarHBondContact O-OG1 3.42Å; D323-G327 PolarHBondContact O-N 3.23Å; D323-D328 HydrophobicContact CB-CB 3.93Å; D323-D328 PolarHBondContact O-N 2.87Å
324	R	98.4	Very high	97.7	Very high	56 Å²	56	41.5 Å²	41.5	21%	0.211	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-28	175.4	-81.5	172.1	-179.2	60.7	9.7	113.2	R275 F320 M321 L322 T326 K333	R275-R324 HydrophobicContact CB-CB 4.25Å; R275-R324 PolarHBondContact NE-O 3.41Å; R275-R324 PolarHBondContact NH2-O 3.44Å; R275-R324 WeakPolarHBondContact O-CD 3.4Å; F320-R324 VanDerWaalsContact CD2-CZ 3.42Å; F320-R324 PolarHBondContact O-NH1 2.98Å; M321-R324 WeakPolarHBondContact O-CB 3.28Å; M321-R324 PolarHBondContact O-N 2.84Å; L322-R324 VanDerWaalsContact C-N 3.31Å; L322-R324 PolarHBondContact O-N 3.24Å; R324-T326 VanDerWaalsContact C-N 3.32Å; R324-K333 VanDerWaalsContact O-O 3.07Å
325	M	98.7	Very high	97.7	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-37.7	176.9	-66.9	-177.5	76.8	0	0	112.7	W235 M276 M321 L322 D323 N334 D335 V337 M338	W235-M325 HydrophobicContact CH2-CE 3.55Å; W235-M325 HydrophobicContact CZ2-CE 3.9Å; W235-M325 HydrophobicContact CZ3-CE 4.46Å; M276-M325 HydrophobicContact CE-CG 3.53Å; M276-M325 HydrophobicContact CE-SD 3.98Å; M321-M325 WeakPolarHBondContact O-CG 3.33Å; M321-M325 PolarHBondContact O-N 2.68Å; L322-M325 HydrophobicContact CD2-SD 4.09Å; L322-M325 PolarHBondContact O-N 2.66Å; D323-M325 VanDerWaalsContact C-N 3.27Å; D323-M325 PolarHBondContact O-N 3.25Å; M325-N334 WeakPolarHBondContact O-CA 3.37Å; M325-D335 HydrophobicContact CB-CB 4.03Å; M325-D335 HydrophobicContact CG-CB 4Å; M325-D335 PolarHBondContact O-N 3.25Å; M325-V337 HydrophobicContact CE-CG1 3.7Å; M325-M338 HydrophobicContact CB-SD 4.11Å; M325-M338 HydrophobicContact CE-CG 4.19Å; M325-M338 HydrophobicContact CE-SD 4.36Å
326	T	98.6	Very high	97.8	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-100.4	1.9	-173.7	46.7	0	0	0	0	113.9	R141 G143 L148 L322 D323 R324 D328 N334	R141-T326 HydrophobicContact CB-CG2 3.78Å; R141-T326 WeakPolarHBondContact CB-OG1 3.09Å; G143-T326 WeakPolarHBondContact CA-O 3.45Å; L148-T326 HydrophobicContact CD1-CG2 3.73Å; L148-T326 HydrophobicContact CG-CG2 3.72Å; L322-T326 PolarHBondContact O-N 2.81Å; L322-T326 PolarHBondContact O-OG1 2.89Å; D323-T326 PolarHBondContact O-N 3.2Å; D323-T326 PolarHBondContact O-OG1 3.42Å; R324-T326 VanDerWaalsContact C-N 3.32Å; T326-D328 VanDerWaalsContact C-N 3.29Å; T326-N334 PolarHBondContact O-OD1 3.34Å
327	G	97.8	Very high	97.8	Very high	16 Å²	16	35.5 Å²	35.5	17%	0.165	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	13.3	-179.8	0	0	0	0	0	114.4	D323 S329 K333 N334	D323-G327 PolarHBondContact O-N 3.23Å; G327-S329 PolarHBondContact O-N 3.31Å; G327-K333 VanDerWaalsContact CA-O 3.25Å; G327-K333 WeakPolarHBondContact CA-O 3.35Å; G327-N334 PolarHBondContact N-OD1 2.78Å
328	D	96.7	Very high	97.8	Very high	77 Å²	77	35.1 Å²	35.1	41%	0.412	19%	0.188	S	C	.	.			trans	-73.4	2.8	173	-77.5	-2.9	0	0	0	112.4	R139 D323 T326	R139-D328 IonicContact CZ-OD2 2.83Å; R139-D328 IonicContact NH1-OD2 2.56Å; R139-D328 PolarHBondContact NH1-OD2 2.8Å; D323-D328 HydrophobicContact CB-CB 3.93Å; D323-D328 PolarHBondContact O-N 2.87Å; T326-D328 VanDerWaalsContact C-N 3.29Å
329	S	94.6	Very high	97.8	Very high	17 Å²	17	40.4 Å²	40.4	12%	0.119	21%	0.208	C	C	.	.	S	Bend	trans	-87.6	161.8	171	53.5	0	0	0	0	112.7	R275 G327 D331 G332	R275-S329 PolarHBondContact NH2-OG 3.34Å; G327-S329 PolarHBondContact O-N 3.31Å; S329-D331 PolarHBondContact O-N 3.32Å; S329-D331 PolarHBondContact OG-OD1 2.9Å; S329-G332 PolarHBondContact O-N 2.76Å
330	E	93.1	Very high	97.8	Very high	212 Å²	212	38.8 Å²	38.8	99%	0.991	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-28.9	-178.4	-64.1	172.8	-175.5	0	0	114.9
331	D	96.2	Very high	97.8	Very high	56 Å²	56	38.5 Å²	38.5	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.9	-177.3	77.6	-21	0	0	0	114.7	R275 S329 K333	R275-D331 IonicContact CZ-OD1 3.25Å; R275-D331 IonicContact CZ-OD2 3.59Å; R275-D331 IonicContact NH1-OD1 3.92Å; R275-D331 IonicContact NH1-OD2 3.96Å; R275-D331 PolarHBondContact NH1-OD2 3.29Å; R275-D331 IonicContact NH2-OD1 3.79Å; R275-D331 PolarHBondContact NH2-OD1 3.15Å; R275-D331 IonicContact NH2-OD2 2.66Å; S329-D331 PolarHBondContact O-N 3.32Å; S329-D331 PolarHBondContact OG-OD1 2.9Å; D331-K333 WeakPolarHBondContact O-CG 3.41Å; D331-K333 PolarHBondContact O-N 3.07Å; D331-K333 VanDerWaalsContact O-N 3.16Å; D331-K333 PolarHBondContact O-NZ 3.2Å; D331-K333 PolarHBondContact OD1-N 3.04Å; D331-K333 IonicContact OD2-NZ 3.89Å
332	G	97.3	Very high	97.8	Very high	46 Å²	46	43.9 Å²	43.9	47%	0.474	22%	0.222	S	C	.	.			trans	64.1	12.2	177.8	0	0	0	0	0	115.5	S329	S329-G332 PolarHBondContact O-N 2.76Å
333	K	98.3	Very high	97.9	Very high	79 Å²	79	43.6 Å²	43.6	34%	0.343	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-93	140.9	-173.5	-66.9	-176.5	-167.5	65.2	0	111.6	I269 T270 R275 R324 G327 D331	I269-K333 HydrophobicContact CB-CD 4.46Å; I269-K333 HydrophobicContact CG1-CD 4.22Å; I269-K333 HydrophobicContact CG2-CD 3.46Å; I269-K333 VanDerWaalsContact CG2-CD 3.46Å; T270-K333 HydrophobicContact CG2-CB 4.13Å; T270-K333 HydrophobicContact CG2-CD 4.16Å; T270-K333 HydrophobicContact CG2-CG 4.42Å; R275-K333 PolarHBondContact NH2-O 3.21Å; R324-K333 VanDerWaalsContact O-O 3.07Å; G327-K333 VanDerWaalsContact CA-O 3.25Å; G327-K333 WeakPolarHBondContact CA-O 3.35Å; D331-K333 WeakPolarHBondContact O-CG 3.41Å; D331-K333 PolarHBondContact O-N 3.07Å; D331-K333 VanDerWaalsContact O-N 3.16Å; D331-K333 PolarHBondContact O-NZ 3.2Å; D331-K333 PolarHBondContact OD1-N 3.04Å; D331-K333 IonicContact OD2-NZ 3.89Å
334	N	98.4	Very high	97.9	Very high	18 Å²	18	44.3 Å²	44.3	10%	0.096	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-93.3	161	176.1	-61.6	-76.4	0	0	0	111	N144 L145 M325 T326 G327	N144-N334 PolarHBondContact N-OD1 2.97Å; L145-N334 HydrophobicContact CB-CB 4.48Å; L145-N334 HydrophobicContact CD1-CB 3.85Å; L145-N334 HydrophobicContact CG-CB 4.05Å; M325-N334 WeakPolarHBondContact O-CA 3.37Å; T326-N334 PolarHBondContact O-OD1 3.34Å; G327-N334 PolarHBondContact N-OD1 2.78Å
335	D	98.8	Very high	97.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-81.8	122.1	172.1	-165.8	-31.8	0	0	0	111.3	L145 H272 R275 M325 V337 M338	L145-D335 WeakPolarHBondContact CD1-O 3.21Å; H272-D335 VanDerWaalsContact CA-OD1 3.27Å; H272-D335 WeakPolarHBondContact CA-OD1 3.44Å; H272-D335 IonicContact CE1-OD2 3.73Å; H272-D335 IonicContact CG-OD2 3.18Å; H272-D335 PolarHBondContact N-OD1 2.95Å; H272-D335 IonicContact ND1-OD1 2.78Å; H272-D335 IonicContact ND1-OD2 3.81Å; H272-D335 PolarHBondContact ND1-OD2 3.17Å; R275-D335 HydrophobicContact CB-CB 4.39Å; R275-D335 HydrophobicContact CG-CB 3.74Å; M325-D335 HydrophobicContact CB-CB 4.03Å; M325-D335 HydrophobicContact CG-CB 4Å; M325-D335 PolarHBondContact O-N 3.25Å; D335-V337 HydrophobicContact CB-CG1 4.17Å; D335-V337 VanDerWaalsContact CG-CG1 3.43Å; D335-V337 PolarHBondContact O-N 3.19Å; D335-V337 VanDerWaalsContact OD1-CB 3.31Å; D335-V337 WeakPolarHBondContact OD1-CB 3.19Å; D335-V337 VanDerWaalsContact OD1-CG1 3.23Å; D335-V337 WeakPolarHBondContact OD1-CG1 3.35Å; D335-V337 PolarHBondContact OD1-N 2.62Å; D335-M338 WeakPolarHBondContact O-CB 3.48Å; D335-M338 PolarHBondContact O-N 3.3Å; D335-M338 VanDerWaalsContact O-N 3.15Å
336	D	98.8	Very high	97.9	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.064	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.1	-15.7	179.8	-76.3	-31.8	0	0	0	113.2	W253 T270 M338 R339	W253-D336 HydrophobicContact CB-CB 3.75Å; W253-D336 HydrophobicContact CG-CB 3.89Å; T270-D336 WeakPolarHBondContact CB-OD2 3.11Å; T270-D336 PolarHBondContact O-N 2.68Å; T270-D336 PolarHBondContact OG1-OD2 2.82Å; D336-M338 PolarHBondContact O-N 3.37Å; D336-R339 VanDerWaalsContact O-CB 3.25Å; D336-R339 WeakPolarHBondContact O-CB 3.45Å; D336-R339 WeakPolarHBondContact O-CG 3.21Å; D336-R339 PolarHBondContact O-N 3.47Å; D336-R339 IonicContact OD1-CZ 2.7Å; D336-R339 IonicContact OD1-NE 2.68Å; D336-R339 PolarHBondContact OD1-NE 2.73Å; D336-R339 IonicContact OD1-NH2 3.99Å; D336-R339 PolarHBondContact OD1-NH2 3.43Å
337	V	98.7	Very high	97.9	Very high	15 Å²	15	43 Å²	43	9%	0.091	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56	-34	171.3	79	0	0	0	0	111.4	I254 H272 M325 D335 R339 F340 T341	I254-V337 HydrophobicContact CD1-CB 4.41Å; I254-V337 HydrophobicContact CD1-CG2 3.82Å; H272-V337 HydrophobicContact CB-CB 4.13Å; M325-V337 HydrophobicContact CE-CG1 3.7Å; D335-V337 HydrophobicContact CB-CG1 4.17Å; D335-V337 VanDerWaalsContact CG-CG1 3.43Å; D335-V337 PolarHBondContact O-N 3.19Å; D335-V337 VanDerWaalsContact OD1-CB 3.31Å; D335-V337 WeakPolarHBondContact OD1-CB 3.19Å; D335-V337 VanDerWaalsContact OD1-CG1 3.23Å; D335-V337 WeakPolarHBondContact OD1-CG1 3.35Å; D335-V337 PolarHBondContact OD1-N 2.62Å; V337-R339 PolarHBondContact O-N 2.88Å; V337-F340 HydrophobicContact CG2-CE1 3.84Å; V337-F340 HydrophobicContact CG2-CE2 4.48Å; V337-F340 HydrophobicContact CG2-CZ 3.62Å; V337-F340 WeakPolarHBondContact O-CD1 3.25Å; V337-F340 PolarHBondContact O-N 2.94Å; V337-T341 HydrophobicContact CG2-CG2 4.19Å; V337-T341 WeakPolarHBondContact O-CG2 3.37Å; V337-T341 PolarHBondContact O-N 2.86Å
338	M	98.8	Very high	97.9	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.044	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-70.9	-3.7	-178.7	-60.1	-176.2	67.2	0	0	113.3	L145 G146 L148 W235 M325 D335 D336 T341	L145-M338 HydrophobicContact CB-CB 3.88Å; G146-M338 VanDerWaalsContact C-CE 3.49Å; L148-M338 HydrophobicContact CD2-CE 4.35Å; W235-M338 HydrophobicContact CH2-CE 4.4Å; W235-M338 HydrophobicContact CH2-CG 4.21Å; W235-M338 HydrophobicContact CH2-SD 4.46Å; W235-M338 HydrophobicContact CZ3-CE 4.45Å; W235-M338 HydrophobicContact CZ3-CG 4.07Å; M325-M338 HydrophobicContact CB-SD 4.11Å; M325-M338 HydrophobicContact CE-CG 4.19Å; M325-M338 HydrophobicContact CE-SD 4.36Å; D335-M338 WeakPolarHBondContact O-CB 3.48Å; D335-M338 PolarHBondContact O-N 3.3Å; D335-M338 VanDerWaalsContact O-N 3.15Å; D336-M338 PolarHBondContact O-N 3.37Å; M338-T341 CarbonylContact C-O 3.59Å; M338-T341 WeakPolarHBondContact CA-O 3.5Å
339	R	98.6	Very high	98	Very high	114 Å²	114	38.8 Å²	38.8	43%	0.43	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-68.4	-39.2	172.5	-66.5	177.3	-179	-74.7	-7.1	112.3	L145 D336 V337	L145-R339 HydrophobicContact CD1-CG 3.98Å; L145-R339 HydrophobicContact CD2-CG 4.26Å; D336-R339 VanDerWaalsContact O-CB 3.25Å; D336-R339 WeakPolarHBondContact O-CB 3.45Å; D336-R339 WeakPolarHBondContact O-CG 3.21Å; D336-R339 PolarHBondContact O-N 3.47Å; D336-R339 IonicContact OD1-CZ 2.7Å; D336-R339 IonicContact OD1-NE 2.68Å; D336-R339 PolarHBondContact OD1-NE 2.73Å; D336-R339 IonicContact OD1-NH2 3.99Å; D336-R339 PolarHBondContact OD1-NH2 3.43Å; V337-R339 PolarHBondContact O-N 2.88Å
340	F	98.4	Very high	98.2	Very high	7 Å²	7	38 Å²	38	3%	0.031	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-8.1	-177.2	72.1	-99.6	0	0	0	113	N238 M241 I242 W253 I254 V337	N238-F340 WeakPolarHBondContact CB-O 3.24Å; N238-F340 PolarHBondContact N-O 3.29Å; M241-F340 HydrophobicContact CG-CB 4.42Å; M241-F340 HydrophobicContact SD-CB 3.84Å; I242-F340 HydrophobicContact CD1-CD2 3.75Å; I242-F340 HydrophobicContact CD1-CE2 4.24Å; I242-F340 HydrophobicContact CG1-CB 4.18Å; I242-F340 HydrophobicContact CG1-CD2 3.76Å; I242-F340 HydrophobicContact CG1-CE2 4.45Å; I242-F340 HydrophobicContact CG1-CG 4.11Å; W253-F340 AromaticContact CE3-CD1 3.81Å; W253-F340 HydrophobicContact CE3-CD1 3.81Å; W253-F340 HydrophobicContact CE3-CE1 4.47Å; W253-F340 HydrophobicContact CZ3-CB 4.41Å; W253-F340 HydrophobicContact CZ3-CD1 4.17Å; I254-F340 HydrophobicContact CD1-CE1 3.88Å; I254-F340 HydrophobicContact CD1-CZ 3.97Å; V337-F340 HydrophobicContact CG2-CE1 3.84Å; V337-F340 HydrophobicContact CG2-CE2 4.48Å; V337-F340 HydrophobicContact CG2-CZ 3.62Å; V337-F340 WeakPolarHBondContact O-CD1 3.25Å; V337-F340 PolarHBondContact O-N 2.94Å
341	T	98.8	Very high	98.5	Very high	10 Å²	10	28 Å²	28	6%	0.061	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.7	175.7	-170.4	0	0	0	0	113.8	W235 I236 H237 V337 M338	W235-T341 HydrophobicContact CE3-CG2 3.67Å; W235-T341 HydrophobicContact CZ3-CG2 4.11Å; I236-T341 CarbonylContact O-C 3.43Å; I236-T341 VanDerWaalsContact O-CA 3.24Å; I236-T341 WeakPolarHBondContact O-CA 3.19Å; I236-T341 WeakPolarHBondContact O-CB 3.21Å; I236-T341 PolarHBondContact O-OG1 2.88Å; H237-T341 PolarHBondContact CE1-OG1 3.2Å; H237-T341 VanDerWaalsContact ND1-CB 3.28Å; H237-T341 WeakPolarHBondContact ND1-CB 3.39Å; H237-T341 PolarHBondContact ND1-OG1 3.29Å; V337-T341 HydrophobicContact CG2-CG2 4.19Å; V337-T341 WeakPolarHBondContact O-CG2 3.37Å; V337-T341 PolarHBondContact O-N 2.86Å; M338-T341 CarbonylContact C-O 3.59Å; M338-T341 WeakPolarHBondContact CA-O 3.5Å
342	K	98.8	Very high	98.6	Very high	127 Å²	127	25.3 Å²	25.3	55%	0.552	13%	0.131	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120	127.6	-178.8	-179.7	-178.7	176.6	-175.2	0	110.6	W235 I236 V344	W235-K342 WeakPolarHBondContact CA-O 3.21Å; I236-K342 PolarHBondContact N-O 2.83Å; I236-K342 PolarHBondContact O-N 2.96Å; K342-V344 HydrophobicContact CD-CG1 4.39Å; K342-V344 HydrophobicContact CG-CG1 4.28Å
343	C	98.9	Very high	98.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.1	169.1	-171.9	0	0	0	0	109.7	K147 L148 K234 W235 T345	K147-C343 WeakPolarHBondContact O-CB 3.29Å; L148-C343 HydrophobicContact CD2-CB 3.76Å; K234-C343 WeakPolarHBondContact O-CA 3.45Å; W235-C343 HydrophobicContact CD2-CB 3.82Å; W235-C343 HydrophobicContact CE3-CB 3.74Å; W235-C343 HydrophobicContact CH2-CB 3.66Å; W235-C343 HydrophobicContact CZ2-CB 3.72Å; W235-C343 HydrophobicContact CZ3-CB 3.66Å; C343-T345 PolarHBondContact SG-O 2.76Å
344	V	98.7	Very high	98.5	Very high	45 Å²	45	22.5 Å²	22.5	27%	0.273	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-20.9	-179.8	-65.8	0	0	0	0	113.5	P149 K234 I236 K342	P149-V344 WeakPolarHBondContact CG-O 3.37Å; K234-V344 HydrophobicContact CB-CG2 3.97Å; K234-V344 HydrophobicContact CD-CG2 3.91Å; K234-V344 HydrophobicContact CG-CG2 3.86Å; K234-V344 WeakPolarHBondContact O-CG2 3.47Å; K234-V344 PolarHBondContact O-N 3.06Å; I236-V344 HydrophobicContact CD1-CB 4.34Å; I236-V344 HydrophobicContact CD1-CG1 3.67Å; I236-V344 HydrophobicContact CD1-CG2 3.8Å; I236-V344 HydrophobicContact CG1-CG1 4.26Å; I236-V344 HydrophobicContact CG1-CG2 3.97Å; K342-V344 HydrophobicContact CD-CG1 4.39Å; K342-V344 HydrophobicContact CG-CG1 4.28Å
345	T	98.7	Very high	98.3	Very high	32 Å²	32	24.1 Å²	24.1	20%	0.196	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152	170.2	73.9	0	0	0	0	110.6	T151 Q233 K234 C343	T151-T345 HydrophobicContact CG2-CG2 4.21Å; T151-T345 WeakPolarHBondContact OG1-CB 3.48Å; Q233-T345 WeakPolarHBondContact CA-O 3.4Å; Q233-T345 WeakPolarHBondContact CB-O 3.4Å; K234-T345 HydrophobicContact CB-CG2 4.12Å; K234-T345 WeakPolarHBondContact CB-OG1 3.49Å; K234-T345 HydrophobicContact CD-CG2 4.36Å; K234-T345 PolarHBondContact N-O 2.65Å; K234-T345 PolarHBondContact N-OG1 3.02Å; K234-T345 VanDerWaalsContact N-OG1 3.12Å; C343-T345 PolarHBondContact SG-O 2.76Å
346	G	98.6	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	130.6	-178.9	0	0	0	0	0	111.6	P149 T151 V232	P149-G346 VanDerWaalsContact O-CA 3.32Å; P149-G346 WeakPolarHBondContact O-CA 3.19Å; P149-G346 PolarHBondContact O-N 3.32Å; T151-G346 PolarHBondContact N-O 2.71Å; T151-G346 PolarHBondContact OG1-N 3.48Å; T151-G346 PolarHBondContact OG1-O 2.86Å; V232-G346 WeakPolarHBondContact O-CA 3.24Å
347	N	98.8	Very high	98	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.053	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	157.4	170.8	-160.5	29.4	0	0	0	111.5	Y138 V232 W349	Y138-N347 VanDerWaalsContact CD2-C 3.48Å; V232-N347 PolarHBondContact N-O 2.71Å; V232-N347 PolarHBondContact O-N 2.78Å; V232-N347 VanDerWaalsContact O-N 3.07Å; N347-W349 HydrophobicContact CB-CZ2 4.04Å; N347-W349 WeakPolarHBondContact ND2-CZ2 3.29Å
348	Y	98.9	Very high	97.9	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	145.7	164.8	-70.1	-26.1	0	0	0	110.1	Y136 Y138 A230 V231 T315 F318 D319 L322	Y136-Y348 VanDerWaalsContact O-CB 3.27Å; Y136-Y348 WeakPolarHBondContact O-CB 3.37Å; Y136-Y348 WeakPolarHBondContact O-CD2 3.44Å; Y138-Y348 AromaticContact CD2-CD1 3.55Å; Y138-Y348 HydrophobicContact CD2-CD1 3.55Å; Y138-Y348 HydrophobicContact CD2-CD2 4.09Å; Y138-Y348 AromaticContact CD2-CE1 3.61Å; Y138-Y348 HydrophobicContact CD2-CE1 3.61Å; Y138-Y348 HydrophobicContact CD2-CE2 4.18Å; Y138-Y348 AromaticContact CD2-CG 3.76Å; Y138-Y348 HydrophobicContact CD2-CG 3.76Å; Y138-Y348 AromaticContact CD2-CZ 3.93Å; Y138-Y348 HydrophobicContact CE2-CD1 4.17Å; Y138-Y348 AromaticContact CE2-CE1 3.9Å; Y138-Y348 HydrophobicContact CE2-CE1 3.9Å; Y138-Y348 HydrophobicContact CG-CG 4.45Å; A230-Y348 CarbonylContact O-C 3.54Å; A230-Y348 VanDerWaalsContact O-CA 3.29Å; A230-Y348 WeakPolarHBondContact O-CA 3.32Å; V231-Y348 HydrophobicContact CB-CD1 3.71Å; V231-Y348 HydrophobicContact CB-CE1 3.65Å; V231-Y348 HydrophobicContact CG2-CD1 3.89Å; V231-Y348 HydrophobicContact CG2-CE1 3.64Å; T315-Y348 HydrophobicContact CG2-CD2 4.16Å; T315-Y348 HydrophobicContact CG2-CE2 4.46Å; F318-Y348 HydrophobicContact CB-CE1 3.7Å; F318-Y348 WeakPolarHBondContact CB-OH 3.34Å; F318-Y348 HydrophobicContact CD2-CD1 4.07Å; F318-Y348 AromaticContact CD2-CE1 3.77Å; F318-Y348 HydrophobicContact CD2-CE1 3.77Å; F318-Y348 HydrophobicContact CG-CE1 4.06Å; D319-Y348 PolarHBondContact OD1-OH 2.94Å; L322-Y348 HydrophobicContact CD1-CE1 4.13Å; L322-Y348 WeakPolarHBondContact CD1-OH 3.5Å
349	W	98.9	Very high	97.6	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.8	-176.8	-55.6	90.4	0	0	0	109.6	T72 F156 Y229 A230 V232 N347 F351	T72-W349 HydrophobicContact CG2-CH2 3.92Å; T72-W349 HydrophobicContact CG2-CZ2 4Å; F156-W349 HydrophobicContact CB-CD2 3.52Å; F156-W349 HydrophobicContact CB-CE3 3.38Å; F156-W349 HydrophobicContact CB-CG 4.26Å; F156-W349 HydrophobicContact CB-CH2 3.7Å; F156-W349 HydrophobicContact CB-CZ2 3.84Å; F156-W349 HydrophobicContact CB-CZ3 3.49Å; F156-W349 VanDerWaalsContact CB-CZ3 3.49Å; F156-W349 HydrophobicContact CD2-CZ2 4.14Å; F156-W349 HydrophobicContact CG-CD2 4.09Å; F156-W349 AromaticContact CG-CE2 3.98Å; F156-W349 HydrophobicContact CG-CE3 4.41Å; F156-W349 HydrophobicContact CG-CZ2 4.2Å; Y229-W349 CarbonylContact C-O 3.45Å; Y229-W349 WeakPolarHBondContact CA-O 3.47Å; A230-W349 HydrophobicContact CB-CB 4.36Å; A230-W349 PolarHBondContact N-O 3.38Å; A230-W349 PolarHBondContact O-N 3.2Å; V232-W349 VanDerWaalsContact CG2-CD1 3.45Å; V232-W349 HydrophobicContact CG2-CG 4.49Å; N347-W349 HydrophobicContact CB-CZ2 4.04Å; N347-W349 WeakPolarHBondContact ND2-CZ2 3.29Å; W349-F351 HydrophobicContact CB-CD2 4.23Å; W349-F351 HydrophobicContact CB-CE2 3.9Å
350	Y	98.9	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.4	169.5	-179	-102.5	0	0	0	110.4	G115 F116 L121 I133 Y136 T225 Y229 P352 E356	G115-Y350 CarbonylContact C-O 3.4Å; G115-Y350 VanDerWaalsContact CA-O 3.3Å; G115-Y350 WeakPolarHBondContact CA-O 3.42Å; F116-Y350 PolarHBondContact N-O 3.34Å; F116-Y350 PolarHBondContact O-N 3.32Å; L121-Y350 HydrophobicContact CD2-CD1 4.22Å; I133-Y350 HydrophobicContact CD1-CD1 3.98Å; I133-Y350 HydrophobicContact CD1-CE1 3.4Å; I133-Y350 VanDerWaalsContact CD1-CE1 3.4Å; I133-Y350 HydrophobicContact CD1-CE2 4.4Å; I133-Y350 HydrophobicContact CG1-CE1 3.93Å; I133-Y350 HydrophobicContact CG1-CE2 4.02Å; I133-Y350 HydrophobicContact CG2-CD2 4.01Å; I133-Y350 HydrophobicContact CG2-CE2 4.09Å; I133-Y350 HydrophobicContact CG2-CG 4.22Å; Y136-Y350 HydrophobicContact CE1-CG 4.38Å; Y136-Y350 VanDerWaalsContact CZ-CB 3.48Å; T225-Y350 WeakPolarHBondContact CB-OH 3.44Å; T225-Y350 PolarHBondContact OG1-OH 3.01Å; Y229-Y350 AromaticContact CD1-CD2 3.84Å; Y229-Y350 HydrophobicContact CD1-CD2 3.84Å; Y229-Y350 AromaticContact CE1-CD2 3.64Å; Y229-Y350 HydrophobicContact CE1-CD2 3.64Å; Y229-Y350 HydrophobicContact CE1-CE2 4.23Å; Y229-Y350 HydrophobicContact CG-CD2 4.42Å; Y350-P352 HydrophobicContact CE1-CB 3.96Å; Y350-P352 VanDerWaalsContact O-CD 3.3Å; Y350-P352 WeakPolarHBondContact O-CD 3.48Å; Y350-E356 WeakPolarHBondContact CE1-OE2 3.34Å; Y350-E356 PolarHBondContact OH-OE2 3.2Å
351	F	98.8	Very high	97.2	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	101.4	174.3	-76.2	-110.3	0	0	0	108.5	V60 F156 H158 G227 S228 A230 Y311 W349	V60-F351 HydrophobicContact CG2-CB 4.23Å; V60-F351 HydrophobicContact CG2-CD1 4.28Å; V60-F351 HydrophobicContact CG2-CG 4.49Å; F156-F351 HydrophobicContact CD1-CE2 4.16Å; F156-F351 AromaticContact CD1-CZ 3.67Å; F156-F351 HydrophobicContact CD1-CZ 3.67Å; F156-F351 HydrophobicContact CE1-CZ 4.08Å; H158-F351 HydrophobicContact CB-CE1 4.3Å; H158-F351 HydrophobicContact CB-CZ 4.24Å; G227-F351 CarbonylContact C-O 3.51Å; G227-F351 WeakPolarHBondContact CA-O 3.4Å; S228-F351 PolarHBondContact N-O 3Å; S228-F351 PolarHBondContact O-N 2.91Å; A230-F351 HydrophobicContact CB-CD2 3.83Å; A230-F351 HydrophobicContact CB-CE2 3.56Å; Y311-F351 HydrophobicContact CE1-CD1 4.07Å; Y311-F351 AromaticContact CE1-CD2 3.78Å; Y311-F351 HydrophobicContact CE1-CD2 3.78Å; Y311-F351 HydrophobicContact CE1-CE1 4.06Å; Y311-F351 AromaticContact CE1-CE2 3.79Å; Y311-F351 HydrophobicContact CE1-CE2 3.79Å; Y311-F351 AromaticContact CE1-CG 3.91Å; Y311-F351 HydrophobicContact CE1-CG 3.91Å; Y311-F351 AromaticContact CE1-CZ 3.9Å; Y311-F351 HydrophobicContact CE1-CZ 3.9Å; Y311-F351 WeakPolarHBondContact OH-CE1 3.45Å; Y311-F351 WeakPolarHBondContact OH-CZ 3.46Å; W349-F351 HydrophobicContact CB-CD2 4.23Å; W349-F351 HydrophobicContact CB-CE2 3.9Å
352	P	98.3	Very high	96.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.17	C	C	.	.			trans	-60.2	158.5	176.6	24.9	-35.3	0	0	0	112.1	Q57 F116 Y350 E356 F357 L360	Q57-P352 WeakPolarHBondContact CG-O 3.29Å; Q57-P352 PolarHBondContact NE2-O 3.04Å; F116-P352 HydrophobicContact CD2-CG 4.28Å; F116-P352 HydrophobicContact CE2-CG 3.9Å; Y350-P352 HydrophobicContact CE1-CB 3.96Å; Y350-P352 VanDerWaalsContact O-CD 3.3Å; Y350-P352 WeakPolarHBondContact O-CD 3.48Å; P352-E356 WeakPolarHBondContact CA-OE2 3.39Å; P352-E356 HydrophobicContact CB-CB 3.83Å; P352-E356 HydrophobicContact CB-CG 3.65Å; P352-E356 VanDerWaalsContact CB-OE2 3.32Å; P352-E356 WeakPolarHBondContact CB-OE2 3.26Å; P352-F357 HydrophobicContact CB-CB 4.34Å; P352-F357 HydrophobicContact CG-CB 3.91Å; P352-F357 HydrophobicContact CG-CD2 3.95Å; P352-F357 HydrophobicContact CG-CG 4.43Å; P352-L360 HydrophobicContact CB-CD1 4.34Å; P352-L360 HydrophobicContact CG-CD1 4.35Å
353	S	97.2	Very high	94.8	Very high	5 Å²	5	26.9 Å²	26.9	4%	0.035	16%	0.16	C	C	.	.			trans	-62.5	160.3	164.2	56.6	0	0	0	0	110.5	F54 T225 G226 E356 F357	F54-S353 VanDerWaalsContact O-CB 3.29Å; F54-S353 WeakPolarHBondContact O-CB 3.31Å; T225-S353 PolarHBondContact O-OG 3.06Å; G226-S353 WeakPolarHBondContact O-CB 3.33Å; S353-E356 CarbonylContact O-C 3.52Å; S353-E356 PolarHBondContact O-N 2.96Å; S353-E356 VanDerWaalsContact OG-CB 3.25Å; S353-E356 WeakPolarHBondContact OG-CB 3.39Å; S353-E356 PolarHBondContact OG-N 3.17Å; S353-F357 WeakPolarHBondContact O-CB 3.45Å; S353-F357 PolarHBondContact O-N 3.02Å
354	V	96.5	Very high	92.3	Very high	60 Å²	60	29.5 Å²	29.5	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-54.5	-48.4	176	174.4	0	0	0	0	111.5	A55 Q57 E356 F357 D358	A55-V354 PolarHBondContact O-N 3.05Å; Q57-V354 HydrophobicContact CG-CG2 4.14Å; V354-E356 VanDerWaalsContact C-N 3.27Å; V354-E356 PolarHBondContact O-N 3.37Å; V354-F357 PolarHBondContact O-N 3.37Å; V354-D358 PolarHBondContact O-N 3.45Å
355	P	94.6	Very high	89.6	Confident	52 Å²	52	33.9 Å²	33.9	34%	0.338	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-30.7	176.5	-23.2	35.4	0	0	0	113.7	A55 R359	A55-P355 HydrophobicContact CB-CG 4.18Å; P355-R359 VanDerWaalsContact O-CG 3.27Å; P355-R359 WeakPolarHBondContact O-CG 3.44Å; P355-R359 VanDerWaalsContact O-CZ 3.28Å; P355-R359 PolarHBondContact O-N 2.79Å; P355-R359 PolarHBondContact O-NE 2.82Å; P355-R359 PolarHBondContact O-NH1 3.49Å
356	E	95.2	Very high	86.8	Confident	4 Å²	4	41 Å²	41	2%	0.019	23%	0.232	C	C	.	.	H	α-helix	trans	-73.3	-42	175.7	179.6	175.2	-143.7	0	0	112	R131 I133 Y350 P352 S353 V354 R359 L360	R131-E356 IonicContact CZ-OE1 3.51Å; R131-E356 IonicContact NH1-OE1 3.51Å; R131-E356 PolarHBondContact NH1-OE1 3.38Å; R131-E356 IonicContact NH2-OE1 3.81Å; I133-E356 WeakPolarHBondContact CD1-OE1 3.1Å; Y350-E356 WeakPolarHBondContact CE1-OE2 3.34Å; Y350-E356 PolarHBondContact OH-OE2 3.2Å; P352-E356 WeakPolarHBondContact CA-OE2 3.39Å; P352-E356 HydrophobicContact CB-CB 3.83Å; P352-E356 HydrophobicContact CB-CG 3.65Å; P352-E356 VanDerWaalsContact CB-OE2 3.32Å; P352-E356 WeakPolarHBondContact CB-OE2 3.26Å; S353-E356 CarbonylContact O-C 3.52Å; S353-E356 PolarHBondContact O-N 2.96Å; S353-E356 VanDerWaalsContact OG-CB 3.25Å; S353-E356 WeakPolarHBondContact OG-CB 3.39Å; S353-E356 PolarHBondContact OG-N 3.17Å; V354-E356 VanDerWaalsContact C-N 3.27Å; V354-E356 PolarHBondContact O-N 3.37Å; E356-R359 PolarHBondContact O-N 3.01Å; E356-L360 HydrophobicContact CG-CD1 4.2Å; E356-L360 WeakPolarHBondContact O-CG 3.32Å; E356-L360 PolarHBondContact O-N 2.78Å
357	F	96.4	Very high	84	Confident	13 Å²	13	48 Å²	48	6%	0.057	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-47.2	174.8	-176.1	-103	0	0	0	110.9	I88 V114 F116 P352 S353 V354 R359 L360 V361	I88-F357 HydrophobicContact CG2-CE2 4.47Å; I88-F357 HydrophobicContact CG2-CZ 4.24Å; V114-F357 HydrophobicContact CB-CD2 4.45Å; V114-F357 HydrophobicContact CB-CE2 3.79Å; V114-F357 HydrophobicContact CB-CZ 4.29Å; V114-F357 HydrophobicContact CG1-CE2 3.89Å; V114-F357 HydrophobicContact CG2-CE2 4.14Å; V114-F357 HydrophobicContact CG2-CZ 4.11Å; F116-F357 HydrophobicContact CE2-CD2 4.14Å; F116-F357 HydrophobicContact CE2-CE2 4.35Å; F116-F357 AromaticContact CZ-CD2 3.96Å; F116-F357 HydrophobicContact CZ-CD2 3.96Å; F116-F357 AromaticContact CZ-CE2 3.7Å; F116-F357 HydrophobicContact CZ-CE2 3.7Å; P352-F357 HydrophobicContact CB-CB 4.34Å; P352-F357 HydrophobicContact CG-CB 3.91Å; P352-F357 HydrophobicContact CG-CD2 3.95Å; P352-F357 HydrophobicContact CG-CG 4.43Å; S353-F357 WeakPolarHBondContact O-CB 3.45Å; S353-F357 PolarHBondContact O-N 3.02Å; V354-F357 PolarHBondContact O-N 3.37Å; F357-R359 VanDerWaalsContact C-N 3.3Å; F357-R359 PolarHBondContact O-N 3.22Å; F357-L360 WeakPolarHBondContact O-CB 3.17Å; F357-L360 PolarHBondContact O-N 3.4Å; F357-L360 VanDerWaalsContact O-N 3.13Å; F357-V361 HydrophobicContact CD1-CG2 4.21Å; F357-V361 HydrophobicContact CE1-CG2 3.88Å; F357-V361 HydrophobicContact CE2-CG2 4.27Å; F357-V361 HydrophobicContact CZ-CG2 3.92Å; F357-V361 WeakPolarHBondContact O-CG2 3.25Å; F357-V361 PolarHBondContact O-N 2.7Å
358	D	94.9	Very high	81	Confident	95 Å²	95	55.4 Å²	55.4	51%	0.508	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-38.4	177.6	-68.9	-19.4	0	0	0	112.2	V354 G362	V354-D358 PolarHBondContact O-N 3.45Å; D358-G362 WeakPolarHBondContact O-CA 3.46Å; D358-G362 PolarHBondContact O-N 2.78Å
359	R	93.5	Very high	78	Confident	116 Å²	116	65.9 Å²	65.9	44%	0.438	34%	0.336	S	S	.	.	H	α-helix	trans	-66.3	-41.2	174.4	-76.3	-173.6	-61.6	-95.8	5.7	112.6	P355 E356 F357 G363 W366	P355-R359 VanDerWaalsContact O-CG 3.27Å; P355-R359 WeakPolarHBondContact O-CG 3.44Å; P355-R359 VanDerWaalsContact O-CZ 3.28Å; P355-R359 PolarHBondContact O-N 2.79Å; P355-R359 PolarHBondContact O-NE 2.82Å; P355-R359 PolarHBondContact O-NH1 3.49Å; E356-R359 PolarHBondContact O-N 3.01Å; F357-R359 VanDerWaalsContact C-N 3.3Å; F357-R359 PolarHBondContact O-N 3.22Å; R359-G363 PolarHBondContact O-N 3.48Å; R359-G363 VanDerWaalsContact O-N 3.08Å; R359-W366 HydrophobicContact CG-CE3 4.44Å; R359-W366 HydrophobicContact CG-CH2 4.23Å; R359-W366 HydrophobicContact CG-CZ3 3.62Å
360	L	95	Very high	75.1	Confident	22 Å²	22	76.6 Å²	76.6	12%	0.115	38%	0.377	C	S	.	.	H	α-helix	trans	-63.4	-46.3	177.4	-72.4	169.6	0	0	0	110.5	L85 F116 L121 I124 P352 E356 F357	L85-L360 HydrophobicContact CD2-CB 4.29Å; L85-L360 VanDerWaalsContact CD2-O 3.3Å; L85-L360 WeakPolarHBondContact CD2-O 3.38Å; F116-L360 HydrophobicContact CD2-CD1 4.48Å; F116-L360 HydrophobicContact CE2-CD1 3.96Å; L121-L360 HydrophobicContact CD1-CD1 4.49Å; I124-L360 HydrophobicContact CD1-CD2 4.46Å; P352-L360 HydrophobicContact CB-CD1 4.34Å; P352-L360 HydrophobicContact CG-CD1 4.35Å; E356-L360 HydrophobicContact CG-CD1 4.2Å; E356-L360 WeakPolarHBondContact O-CG 3.32Å; E356-L360 PolarHBondContact O-N 2.78Å; F357-L360 WeakPolarHBondContact O-CB 3.17Å; F357-L360 PolarHBondContact O-N 3.4Å; F357-L360 VanDerWaalsContact O-N 3.13Å
361	V	93.8	Very high	72.2	Confident	30 Å²	30	87.8 Å²	87.8	18%	0.182	43%	0.429	C	S	.	.	H	α-helix	trans	-67.2	-44	177.9	173	0	0	0	0	111.7	L85 F357 G363	L85-V361 HydrophobicContact CD1-CG2 4.09Å; L85-V361 HydrophobicContact CG-CG2 4.25Å; F357-V361 HydrophobicContact CD1-CG2 4.21Å; F357-V361 HydrophobicContact CE1-CG2 3.88Å; F357-V361 HydrophobicContact CE2-CG2 4.27Å; F357-V361 HydrophobicContact CZ-CG2 3.92Å; F357-V361 WeakPolarHBondContact O-CG2 3.25Å; F357-V361 PolarHBondContact O-N 2.7Å; V361-G363 VanDerWaalsContact C-N 3.28Å; V361-G363 PolarHBondContact O-N 2.68Å
362	G	84.8	Confident	70.8	Confident	40 Å²	40	92.1 Å²	92.1	41%	0.412	45%	0.45	S	S	.	.	H	α-helix	trans	-79.4	-2.3	-176.3	0	0	0	0	0	115.1	D358 G364 L365	D358-G362 WeakPolarHBondContact O-CA 3.46Å; D358-G362 PolarHBondContact O-N 2.78Å; G362-G364 PolarHBondContact O-N 2.91Å; G362-L365 PolarHBondContact O-N 3.36Å
363	G	61.1	Low	69.4	Low	33 Å²	33	96.9 Å²	96.9	34%	0.34	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-3.7	-173.2	0	0	0	0	0	117	R359 V361	R359-G363 PolarHBondContact O-N 3.48Å; R359-G363 VanDerWaalsContact O-N 3.08Å; V361-G363 VanDerWaalsContact C-N 3.28Å; V361-G363 PolarHBondContact O-N 2.68Å
364	G	47.3	Very low	67.9	Low	56 Å²	56	102 Å²	102	58%	0.577	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.2	166.5	0	0	0	0	0	115.3	G362	G362-G364 PolarHBondContact O-N 2.91Å
365	L	40.6	Very low	66.2	Low	136 Å²	136	104.5 Å²	104.5	71%	0.712	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-26.5	-175.5	-86.3	163.6	0	0	0	114.8	G362	G362-L365 PolarHBondContact O-N 3.36Å
366	W	40.5	Very low	64.4	Low	182 Å²	182	107.8 Å²	107.8	69%	0.689	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-24.9	-178.6	-77.2	-14.7	0	0	0	114.6	R359 F368 W369	R359-W366 HydrophobicContact CG-CE3 4.44Å; R359-W366 HydrophobicContact CG-CH2 4.23Å; R359-W366 HydrophobicContact CG-CZ3 3.62Å; W366-F368 PolarHBondContact O-N 2.95Å; W366-W369 PolarHBondContact O-N 3.13Å
367	E	41.2	Very low	62.3	Low	146 Å²	146	114.7 Å²	114.7	68%	0.682	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-67.5	-24.5	172.1	-67.7	-138.5	158.5	0	0	112.2	W369 R370	E367-W369 PolarHBondContact O-N 3.02Å; E367-R370 PolarHBondContact O-N 3.28Å; E367-R370 VanDerWaalsContact O-N 3.15Å
368	F	34.9	Very low	59.9	Low	166 Å²	166	121.9 Å²	121.9	73%	0.728	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-65.6	-17.1	175.6	-142.3	-86.2	0	0	0	114	W366	W366-F368 PolarHBondContact O-N 2.95Å
369	W	35.9	Very low	57.2	Low	221 Å²	221	124 Å²	124	84%	0.837	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-103	7.1	177	-67.7	97.9	0	0	0	113.6	W366 E367	W366-W369 PolarHBondContact O-N 3.13Å; E367-W369 PolarHBondContact O-N 3.02Å
370	R	37.6	Very low	54.2	Low	230 Å²	230	124.7 Å²	124.7	87%	0.868	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	-5.9	174.7	-87.8	-169.4	173.4	-173.5	-1.4	114.6	E367	E367-R370 PolarHBondContact O-N 3.28Å; E367-R370 VanDerWaalsContact O-N 3.15Å
371	Q	37.7	Very low	50.5	Low	234 Å²	234	134 Å²	134	100%	1.093	65%	0.647	S	S	*	*			trans	-96.1	0	161.7	-65.7	-175.8	20.7	0	0	108.6

Retrieved 371 of 371 residues in 275.1 ms (Link to these results)

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