A0A096MTC3_PAPAN Loading...

Methylenetetrahydrofolate dehydrogenase (NADP+ dependent) 2 like

AlphaFold DB , UniProt , Accession A0A096MTC3, Species PAPAN (Papio anubis, Olive baboon), Gene MTHFD2L, Length 347 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	37.4	Very low	33.1	Very low	247 Å²	247	163.6 Å²	163.6	100%	1.217	88%	0.879	S	S	*	*				0	121.5	0	-78.8	176.4	179.1	0	0	107.8
2	T	32.1	Very low	33	Very low	143 Å²	143	169.9 Å²	169.9	88%	0.877	88%	0.881	S	S	*	*			trans	-80.1	134.6	-168.7	38.6	0	0	0	0	112.5
3	V	31.9	Very low	32.7	Very low	136 Å²	136	162.6 Å²	162.6	82%	0.824	87%	0.873	S	S	*	*			trans	-118.1	124.3	165	-176.1	0	0	0	0	107.3
4	P	40.2	Very low	32.6	Very low	117 Å²	117	169.1 Å²	169.1	76%	0.76	88%	0.879	S	S	*	*			trans	-87.7	136.5	-173.1	33	-30.8	0	0	0	112
5	V	33	Very low	32.6	Very low	142 Å²	142	169.3 Å²	169.3	86%	0.861	88%	0.881	S	S	*	*			trans	-74.5	122.3	168.3	177.5	0	0	0	0	108.5
6	R	34.4	Very low	32.4	Very low	248 Å²	248	163.5 Å²	163.5	94%	0.936	88%	0.875	S	S	*	*			trans	-92.1	113.1	167.9	-93.2	-175.6	170.3	-177.4	-2.3	109.4
7	G	30.6	Very low	32.3	Very low	71 Å²	71	168.4 Å²	168.4	73%	0.732	88%	0.878	S	S	*	*			trans	-74.5	146.4	177.9	0	0	0	0	0	113.5
8	F	30.6	Very low	32.4	Very low	208 Å²	208	166.5 Å²	166.5	91%	0.912	87%	0.874	S	S	*	*			trans	-54.1	130.3	166	-105.1	-109.6	0	0	0	111.7
9	L	30	Very low	32.5	Very low	163 Å²	163	164.1 Å²	164.1	85%	0.853	87%	0.869	S	S	*	*			trans	-106.5	102.8	166.9	-153.7	81.2	0	0	0	108.8	L11	L9-L11 PolarHBondContact O-N 2.8Å
10	L	30.4	Very low	32.4	Very low	152 Å²	152	160.9 Å²	160.9	80%	0.796	87%	0.867	S	S	*	*			trans	-68.6	117.4	169	-85.5	146.1	0	0	0	109.5	R12	L10-R12 PolarHBondContact O-N 3.21Å; L10-R12 VanDerWaalsContact O-N 3.14Å
11	L	32.9	Very low	32.4	Very low	173 Å²	173	161.9 Å²	161.9	91%	0.906	87%	0.871	S	S	*	*			trans	-66.8	106.6	165.9	-88.9	96.2	0	0	0	109.5	L9	L9-L11 PolarHBondContact O-N 2.8Å
12	R	32	Very low	32	Very low	239 Å²	239	157.5 Å²	157.5	90%	0.902	85%	0.853	S	S	*	*			trans	-84.1	109.9	162	-80.3	-174	171.1	-174.8	-2.2	109	L10	L10-R12 PolarHBondContact O-N 3.21Å; L10-R12 VanDerWaalsContact O-N 3.14Å
13	G	29.6	Very low	31.9	Very low	75 Å²	75	161.4 Å²	161.4	77%	0.773	85%	0.851	S	S	*	*			trans	-63	131.1	169.8	0	0	0	0	0	111.5	L15	G13-L15 PolarHBondContact O-N 3.1Å
14	R	31	Very low	31.8	Very low	253 Å²	253	160.1 Å²	160.1	96%	0.955	85%	0.849	S	S	*	*			trans	-76.1	114.7	173.5	-79.4	179.3	171.4	-169.3	-2.2	109.6
15	L	32.3	Very low	31.4	Very low	173 Å²	173	160.8 Å²	160.8	91%	0.906	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-74.8	124.8	160.6	-82.1	153.5	0	0	0	109	G13	G13-L15 PolarHBondContact O-N 3.1Å
16	G	30.3	Very low	31.4	Very low	76 Å²	76	158.5 Å²	158.5	78%	0.784	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-67.1	137	177.9	0	0	0	0	0	112.3
17	R	30.6	Very low	31.3	Very low	247 Å²	247	152.9 Å²	152.9	93%	0.932	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-78.6	132.9	172.5	-74	179.1	172.6	-169.3	-3.2	110.1
18	V	33.5	Very low	31.3	Very low	134 Å²	134	154.7 Å²	154.7	81%	0.812	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-96	135.7	164.4	-177.9	0	0	0	0	108
19	P	34.1	Very low	31.4	Very low	120 Å²	120	151.8 Å²	151.8	78%	0.779	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-81.5	137.7	173.7	1.8	15.9	0	0	0	111.3
20	A	30.2	Very low	31.3	Very low	100 Å²	100	155.5 Å²	155.5	83%	0.826	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-70	144.6	170.9	0	0	0	0	0	111.5
21	L	32.3	Very low	31.5	Very low	182 Å²	182	152.7 Å²	152.7	95%	0.953	84%	0.844	S	S	*	*			trans	-131.1	147.3	163.8	-100.4	155.2	0	0	0	109.7
22	D	29.6	Very low	31.9	Very low	156 Å²	156	150.8 Å²	150.8	83%	0.834	84%	0.842	S	S	*	*			trans	-90.4	169.1	-146.5	-148.9	-11.1	0	0	0	114.4
23	R	30.3	Very low	31.8	Very low	224 Å²	224	143.2 Å²	143.2	85%	0.845	84%	0.839	S	S	*	*			trans	-76.6	170.5	-175.6	-73	178.5	169.5	-174.2	-2.2	114.6
24	S	30	Very low	31.9	Very low	110 Å²	110	148.5 Å²	148.5	77%	0.769	84%	0.844	S	S	*	*			trans	97.7	132.8	164.2	84.9	0	0	0	0	113.4
25	T	31.8	Very low	32.4	Very low	130 Å²	130	142.3 Å²	142.3	80%	0.798	84%	0.836	S	S	*	*			cis	-156.2	143.5	29.5	41.7	0	0	0	0	110.5
26	A	32.2	Very low	32.5	Very low	95 Å²	95	137.8 Å²	137.8	79%	0.785	83%	0.831	S	S	*	*			trans	-83.7	158.6	160.7	0	0	0	0	0	110.5
27	P	33.3	Very low	32.5	Very low	130 Å²	130	139.3 Å²	139.3	84%	0.844	83%	0.83	S	S	*	*				-139.9	157.8	111.8	34.5	-19.8	0	0	0	114.9
28	S	31.2	Very low	32.6	Very low	108 Å²	108	136 Å²	136	76%	0.755	83%	0.825	S	S	*	*			trans	-86.4	145	179.8	54.7	0	0	0	0	113.9
29	V	31.4	Very low	32.4	Very low	147 Å²	147	139.3 Å²	139.3	89%	0.891	83%	0.829	S	S	*	*			trans	-149.1	129.2	147	-178.1	0	0	0	0	110.3
30	R	28.6	Very low	32.5	Very low	241 Å²	241	144.2 Å²	144.2	91%	0.909	83%	0.832	S	S	*	*			trans	-88.4	155.4	164.3	-74.2	178.6	168.3	-178.3	-3.6	108.5
31	A	33.6	Very low	32.6	Very low	93 Å²	93	142.5 Å²	142.5	77%	0.769	82%	0.823	S	S	*	*				-179.5	-160.7	60.4	0	0	0	0	0	110.2
32	P	42.1	Very low	32.8	Very low	133 Å²	133	143.8 Å²	143.8	86%	0.864	82%	0.822	S	S	*	*				-119.2	170.8	-108.4	34.8	-14	0	0	0	116.1
33	G	29.8	Very low	33.2	Very low	81 Å²	81	147.7 Å²	147.7	84%	0.835	83%	0.825	S	S	*	*			trans	169.6	112.8	165.8	0	0	0	0	0	115.5
34	E	31.6	Very low	33.8	Very low	186 Å²	186	141.6 Å²	141.6	87%	0.869	82%	0.817	S	S	*	*			trans	-73.2	-174	173.6	-71.8	-171.8	161.6	0	0	114
35	P	42.6	Very low	34.4	Very low	122 Å²	122	141.4 Å²	141.4	79%	0.792	82%	0.815	S	S	*	*			cis	-129.3	168.6	-42	29.6	-11.9	0	0	0	112.4
36	G	32.5	Very low	35.3	Very low	79 Å²	79	139 Å²	139	81%	0.814	80%	0.804	S	S	*	*			trans	113	92.9	150.3	0	0	0	0	0	116.6
37	S	30.7	Very low	36.3	Very low	107 Å²	107	139.7 Å²	139.7	75%	0.748	80%	0.798	S	S	*	*			trans	-149	117.7	137	80.2	0	0	0	0	108.4	F39	S37-F39 PolarHBondContact O-N 2.79Å
38	E	33.4	Very low	37.3	Very low	178 Å²	178	144.4 Å²	144.4	83%	0.832	80%	0.799	S	S	*	*			trans	-46.4	122.8	169.9	-65.8	177.7	144	0	0	109.8	R40	E38-R40 PolarHBondContact O-N 2.91Å
39	F	29.6	Very low	39.1	Very low	204 Å²	204	146.3 Å²	146.3	90%	0.895	80%	0.795	S	S	*	*			trans	-62	92.9	163.4	-100.2	-94.8	0	0	0	107.4	S37 G41	S37-F39 PolarHBondContact O-N 2.79Å; F39-G41 VanDerWaalsContact C-N 3.33Å; F39-G41 PolarHBondContact O-N 3.49Å
40	R	35.3	Very low	41.9	Very low	223 Å²	223	145.4 Å²	145.4	84%	0.842	78%	0.782	S	S	*	*			trans	-58	103.8	160.9	-83.7	-175	174	-164.1	-0.8	106.2	E38 F42	E38-R40 PolarHBondContact O-N 2.91Å; R40-F42 PolarHBondContact O-N 2.87Å; R40-F42 VanDerWaalsContact O-N 3.1Å
41	G	33.3	Very low	45.1	Very low	63 Å²	63	134.4 Å²	134.4	65%	0.649	74%	0.742	S	S	*	*			trans	-46.8	122	175.5	0	0	0	0	0	109.1	F39 R43	F39-G41 VanDerWaalsContact C-N 3.33Å; F39-G41 PolarHBondContact O-N 3.49Å; G41-R43 PolarHBondContact O-N 2.82Å
42	F	35.1	Very low	48.2	Very low	209 Å²	209	134.6 Å²	134.6	92%	0.917	73%	0.729	S	S	*	*			trans	-57	96.3	162.5	-92.3	-95	0	0	0	106.3	R40 S44	R40-F42 PolarHBondContact O-N 2.87Å; R40-F42 VanDerWaalsContact O-N 3.1Å; F42-S44 PolarHBondContact O-N 2.84Å
43	R	38.2	Very low	50.9	Low	239 Å²	239	132.7 Å²	132.7	90%	0.902	71%	0.711	S	S	*	*			trans	-65.1	94.4	156.6	-73	-172.7	-179	-157	0.8	104.5	G41 S45	G41-R43 PolarHBondContact O-N 2.82Å; R43-S45 VanDerWaalsContact C-N 3.26Å; R43-S45 PolarHBondContact O-N 3.14Å
44	S	44	Very low	54.2	Low	96 Å²	96	129.2 Å²	129.2	67%	0.671	67%	0.673	S	S	*	*			trans	-48.4	104.1	155	165.1	0	0	0	0	105.5	F42 S46	F42-S44 PolarHBondContact O-N 2.84Å; S44-S46 PolarHBondContact O-N 2.88Å
45	S	42.7	Very low	57.4	Low	105 Å²	105	122.2 Å²	122.2	73%	0.734	65%	0.645	S	S	*	*			trans	-67.9	82.9	163.1	56.3	0	0	0	0	104.9	R43 V47	R43-S45 VanDerWaalsContact C-N 3.26Å; R43-S45 PolarHBondContact O-N 3.14Å; S45-V47 PolarHBondContact O-N 2.79Å
46	S	50.6	Low	60	Low	81 Å²	81	116.4 Å²	116.4	57%	0.566	61%	0.607	S	S	*	*			trans	-63.5	95.9	170.7	49	0	0	0	0	106	S44 R48	S44-S46 PolarHBondContact O-N 2.88Å; S46-R48 PolarHBondContact O-N 2.83Å
47	V	51.8	Low	63.1	Low	108 Å²	108	115 Å²	115	66%	0.655	58%	0.583	S	S	*	*			trans	-56.7	102.5	162	179.2	0	0	0	0	103.9	S45 H49	S45-V47 PolarHBondContact O-N 2.79Å; V47-H49 PolarHBondContact O-N 3.44Å
48	R	55.8	Low	66.4	Low	229 Å²	229	115.2 Å²	115.2	86%	0.864	57%	0.572	S	S	*	*			trans	-62.5	92.8	174	-72.3	-177	178.3	175	-0.7	106.2	S46 E50	S46-R48 PolarHBondContact O-N 2.83Å; R48-E50 PolarHBondContact O-N 3.28Å
49	H	69.3	Low	69.5	Low	148 Å²	148	107.8 Å²	107.8	69%	0.685	54%	0.537	S	S	*	.			trans	-77.8	108.6	172.4	-114	79.2	0	0	0	106.7	V47	V47-H49 PolarHBondContact O-N 3.44Å
50	E	89.2	Confident	72.7	Confident	129 Å²	129	98.2 Å²	98.2	60%	0.603	50%	0.496	S	S	*	.			trans	-64.7	145.2	163	-69.1	-166.2	151.5	0	0	109	R48	R48-E50 PolarHBondContact O-N 3.28Å
51	A	96.6	Very high	75.7	Confident	9 Å²	9	93.6 Å²	93.6	7%	0.074	48%	0.482	C	S	.	.			trans	-58.4	142.8	179.6	0	0	0	0	0	111.1	I53 K313 A316 I319	A51-I53 PolarHBondContact O-N 3.14Å; A51-K313 HydrophobicContact CB-CB 4.26Å; A51-K313 VanDerWaalsContact CB-O 3.31Å; A51-K313 WeakPolarHBondContact CB-O 3.44Å; A51-K313 PolarHBondContact N-O 3.33Å; A51-A316 VanDerWaalsContact CA-O 3.25Å; A51-A316 WeakPolarHBondContact CA-O 3.29Å; A51-A316 HydrophobicContact CB-CB 4.06Å; A51-A316 WeakPolarHBondContact CB-O 3.28Å; A51-I319 HydrophobicContact CB-CB 4.2Å; A51-I319 HydrophobicContact CB-CG2 3.67Å
52	I	98.2	Very high	78.8	Confident	97 Å²	97	98.3 Å²	98.3	50%	0.497	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	115.8	166.6	-61.9	171.4	0	0	0	107.8	I54 G317 F318 I319	I52-I54 PolarHBondContact O-N 3.36Å; I52-G317 PolarHBondContact N-O 3.12Å; I52-F318 HydrophobicContact CB-CD1 3.73Å; I52-F318 HydrophobicContact CB-CE1 3.99Å; I52-F318 HydrophobicContact CD1-CD1 4.19Å; I52-F318 HydrophobicContact CD1-CE1 3.56Å; I52-F318 HydrophobicContact CD1-CZ 4.01Å; I52-F318 HydrophobicContact CG1-CD1 4.47Å; I52-F318 HydrophobicContact CG1-CE1 4.31Å; I52-F318 HydrophobicContact CG2-CD1 4.06Å; I52-F318 HydrophobicContact CG2-CE1 4.21Å; I52-F318 WeakPolarHBondContact O-CA 3.33Å; I52-I319 PolarHBondContact O-N 3.39Å
53	I	98.4	Very high	81.9	Confident	93 Å²	93	88.4 Å²	88.4	48%	0.477	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.2	176.9	-57.3	174.7	0	0	0	108.8	A51 S55 F309 I319 P321	A51-I53 PolarHBondContact O-N 3.14Å; I53-S55 PolarHBondContact O-N 3.35Å; I53-F309 HydrophobicContact CD1-CE1 4.48Å; I53-F309 HydrophobicContact CD1-CZ 4.03Å; I53-F309 HydrophobicContact CG1-CZ 4.16Å; I53-F309 HydrophobicContact CG2-CZ 4.29Å; I53-I319 CarbonylContact C-O 3.52Å; I53-I319 WeakPolarHBondContact CA-O 3.42Å; I53-I319 HydrophobicContact CG1-CG2 4.18Å; I53-P321 HydrophobicContact CG2-CB 4.44Å; I53-P321 HydrophobicContact CG2-CG 4.01Å
54	I	98.5	Very high	84.7	Confident	9 Å²	9	79.1 Å²	79.1	5%	0.046	40%	0.404	C	S	.	.			trans	-80.5	107.4	179.6	-58.4	173.5	0	0	0	109.2	I52 G56 M59 I197 T201 I203 F318 I319 T320 P321	I52-I54 PolarHBondContact O-N 3.36Å; I54-G56 PolarHBondContact O-N 3.37Å; I54-G56 VanDerWaalsContact O-N 3.1Å; I54-M59 HydrophobicContact CG2-CE 4.33Å; I54-I197 HydrophobicContact CD1-CG2 3.99Å; I54-I197 HydrophobicContact CG2-CG2 3.96Å; I54-T201 HydrophobicContact CD1-CG2 3.96Å; I54-T201 HydrophobicContact CG1-CG2 4.2Å; I54-I203 HydrophobicContact CD1-CD1 4.1Å; I54-F318 HydrophobicContact CD1-CB 3.95Å; I54-F318 HydrophobicContact CD1-CD1 4.3Å; I54-F318 HydrophobicContact CG1-CB 4.41Å; I54-F318 HydrophobicContact CG1-CD1 4.33Å; I54-I319 PolarHBondContact N-O 2.95Å; I54-T320 HydrophobicContact CB-CG2 3.96Å; I54-T320 HydrophobicContact CD1-CG2 4.24Å; I54-T320 HydrophobicContact CG2-CG2 4.26Å; I54-P321 WeakPolarHBondContact O-CD 3.48Å
55	S	98.5	Very high	87.3	Confident	39 Å²	39	80.8 Å²	80.8	27%	0.273	40%	0.399	S	S	.	.			trans	-77.9	92.6	173.5	-176	0	0	0	0	111.2	I53 T57 E58 M59	I53-S55 PolarHBondContact O-N 3.35Å; S55-T57 PolarHBondContact O-N 2.85Å; S55-E58 PolarHBondContact O-N 2.86Å; S55-E58 WeakPolarHBondContact OG-CG 3.31Å; S55-E58 PolarHBondContact OG-N 3.06Å; S55-M59 PolarHBondContact O-N 2.87Å; S55-M59 VanDerWaalsContact O-N 3.12Å
56	G	98.3	Very high	90	Very high	0 Å²	0	80 Å²	80	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-25.7	172.2	0	0	0	0	0	112.7	I54 M59 A60 G324 G325	I54-G56 PolarHBondContact O-N 3.37Å; I54-G56 VanDerWaalsContact O-N 3.1Å; G56-M59 PolarHBondContact O-N 3.19Å; G56-A60 WeakPolarHBondContact O-CB 3.45Å; G56-A60 PolarHBondContact O-N 3.22Å; G56-G324 CarbonylContact C-O 3.38Å; G56-G324 WeakPolarHBondContact CA-O 3.36Å; G56-G324 PolarHBondContact N-O 3.09Å; G56-G325 WeakPolarHBondContact CA-O 3.38Å
57	T	98.3	Very high	92.3	Very high	50 Å²	50	76.4 Å²	76.4	31%	0.307	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-47.2	171.5	-58.4	0	0	0	0	112.1	S55 K61 G324	S55-T57 PolarHBondContact O-N 2.85Å; T57-K61 WeakPolarHBondContact O-CG 3.25Å; T57-K61 PolarHBondContact O-N 2.9Å; T57-K61 VanDerWaalsContact O-N 3.09Å; T57-G324 PolarHBondContact N-O 3.2Å; T57-G324 WeakPolarHBondContact OG1-CA 3.17Å; T57-G324 PolarHBondContact OG1-O 2.76Å
58	E	98.4	Very high	94.5	Very high	110 Å²	110	74.8 Å²	74.8	51%	0.514	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-40.9	178.7	-74.1	178.6	-176.3	0	0	111.8	S55 K61 R62	S55-E58 PolarHBondContact O-N 2.86Å; S55-E58 WeakPolarHBondContact OG-CG 3.31Å; S55-E58 PolarHBondContact OG-N 3.06Å; E58-K61 WeakPolarHBondContact O-CB 3.32Å; E58-K61 PolarHBondContact O-N 2.65Å; E58-R62 WeakPolarHBondContact O-CG 3.4Å; E58-R62 PolarHBondContact O-N 3.1Å; E58-R62 VanDerWaalsContact O-N 3.13Å
59	M	98.5	Very high	96.6	Very high	22 Å²	22	72 Å²	72	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-43	176.9	-168.4	-179.1	-65.7	0	0	111.3	I54 S55 G56 K61 R62 I63 I197 R200 M329	I54-M59 HydrophobicContact CG2-CE 4.33Å; S55-M59 PolarHBondContact O-N 2.87Å; S55-M59 VanDerWaalsContact O-N 3.12Å; G56-M59 PolarHBondContact O-N 3.19Å; M59-K61 VanDerWaalsContact C-N 3.34Å; M59-K61 PolarHBondContact O-N 2.85Å; M59-R62 WeakPolarHBondContact O-CB 3.2Å; M59-R62 PolarHBondContact O-N 3.33Å; M59-R62 VanDerWaalsContact O-N 3.1Å; M59-I63 HydrophobicContact CG-CD1 4.34Å; M59-I63 WeakPolarHBondContact O-CG1 3.48Å; M59-I63 PolarHBondContact O-N 3.1Å; M59-I197 HydrophobicContact SD-CG1 4.08Å; M59-R200 HydrophobicContact CE-CB 3.74Å; M59-R200 HydrophobicContact SD-CB 3.88Å; M59-R200 HydrophobicContact SD-CG 4.35Å; M59-M329 HydrophobicContact CB-CE 4.43Å; M59-M329 HydrophobicContact CB-SD 3.61Å; M59-M329 HydrophobicContact CG-CE 3.79Å; M59-M329 HydrophobicContact CG-SD 3.61Å; M59-M329 HydrophobicContact SD-CE 3.44Å; M59-M329 WeakPolarHBondContact SD-CE 3.45Å; M59-M329 HydrophobicContact SD-SD 3.89Å
60	A	98.4	Very high	98	Very high	3 Å²	3	65.7 Å²	65.7	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-41.4	175.3	0	0	0	0	0	111.7	G56 R62 I63 Q64 P328 M329 A332	G56-A60 WeakPolarHBondContact O-CB 3.45Å; G56-A60 PolarHBondContact O-N 3.22Å; A60-R62 VanDerWaalsContact C-N 3.31Å; A60-R62 PolarHBondContact O-N 3.33Å; A60-I63 PolarHBondContact O-N 2.63Å; A60-Q64 WeakPolarHBondContact O-CB 3.35Å; A60-Q64 VanDerWaalsContact O-CG 3.26Å; A60-Q64 WeakPolarHBondContact O-CG 3.44Å; A60-Q64 PolarHBondContact O-N 3.34Å; A60-P328 HydrophobicContact CB-CB 3.89Å; A60-P328 WeakPolarHBondContact CB-O 3.47Å; A60-M329 HydrophobicContact CB-CG 4.46Å; A60-M329 HydrophobicContact CB-SD 3.98Å; A60-M329 PolarHBondContact N-SD 2.95Å; A60-A332 HydrophobicContact CB-CB 4.09Å
61	K	98.4	Very high	98.4	Very high	126 Å²	126	59.6 Å²	59.6	55%	0.548	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-38.9	174.2	-74.5	173.6	-178.5	177.9	0	112.3	T57 E58 M59 K65	T57-K61 WeakPolarHBondContact O-CG 3.25Å; T57-K61 PolarHBondContact O-N 2.9Å; T57-K61 VanDerWaalsContact O-N 3.09Å; E58-K61 WeakPolarHBondContact O-CB 3.32Å; E58-K61 PolarHBondContact O-N 2.65Å; M59-K61 VanDerWaalsContact C-N 3.34Å; M59-K61 PolarHBondContact O-N 2.85Å; K61-K65 WeakPolarHBondContact O-CG 3.27Å; K61-K65 PolarHBondContact O-N 3.18Å
62	R	98.5	Very high	98.5	Very high	162 Å²	162	64 Å²	64	61%	0.611	30%	0.298	S	S	*	.	H	α-helix	trans	-66.2	-46.6	176.2	-65.8	175.7	-171.1	-179.3	4.5	110.8	E58 M59 A60 Q64 K65 E66	E58-R62 WeakPolarHBondContact O-CG 3.4Å; E58-R62 PolarHBondContact O-N 3.1Å; E58-R62 VanDerWaalsContact O-N 3.13Å; M59-R62 WeakPolarHBondContact O-CB 3.2Å; M59-R62 PolarHBondContact O-N 3.33Å; M59-R62 VanDerWaalsContact O-N 3.1Å; A60-R62 VanDerWaalsContact C-N 3.31Å; A60-R62 PolarHBondContact O-N 3.33Å; R62-Q64 VanDerWaalsContact C-N 3.34Å; R62-Q64 PolarHBondContact O-N 2.98Å; R62-K65 WeakPolarHBondContact O-CB 3.25Å; R62-K65 PolarHBondContact O-N 2.88Å; R62-E66 PolarHBondContact O-N 3.06Å; R62-E66 VanDerWaalsContact O-N 3.09Å
63	I	98.6	Very high	98.5	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-41.6	177.1	-67.9	173	0	0	0	111.3	M59 A60 K65 E66 I67 M329 A332 M333	M59-I63 HydrophobicContact CG-CD1 4.34Å; M59-I63 WeakPolarHBondContact O-CG1 3.48Å; M59-I63 PolarHBondContact O-N 3.1Å; A60-I63 PolarHBondContact O-N 2.63Å; I63-K65 VanDerWaalsContact C-N 3.29Å; I63-K65 PolarHBondContact O-N 2.78Å; I63-E66 WeakPolarHBondContact O-CA 3.42Å; I63-E66 WeakPolarHBondContact O-CB 3.36Å; I63-E66 PolarHBondContact O-N 3.13Å; I63-I67 HydrophobicContact CG2-CD1 3.73Å; I63-I67 HydrophobicContact CG2-CG1 4.25Å; I63-I67 VanDerWaalsContact O-CG1 3.3Å; I63-I67 WeakPolarHBondContact O-CG1 3.16Å; I63-I67 PolarHBondContact O-N 3Å; I63-M329 HydrophobicContact CD1-CE 3.4Å; I63-M329 HydrophobicContact CD1-SD 3.9Å; I63-A332 HydrophobicContact CB-CB 4.26Å; I63-A332 HydrophobicContact CG2-CB 3.92Å; I63-M333 HydrophobicContact CD1-SD 4.23Å; I63-M333 HydrophobicContact CG2-SD 4.45Å
64	Q	98.6	Very high	98.5	Very high	45 Å²	45	60.2 Å²	60.2	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-37.2	176.3	-76.3	172.3	3.9	0	0	112.2	A60 R62 I67 Q68 V109 A332	A60-Q64 WeakPolarHBondContact O-CB 3.35Å; A60-Q64 VanDerWaalsContact O-CG 3.26Å; A60-Q64 WeakPolarHBondContact O-CG 3.44Å; A60-Q64 PolarHBondContact O-N 3.34Å; R62-Q64 VanDerWaalsContact C-N 3.34Å; R62-Q64 PolarHBondContact O-N 2.98Å; Q64-I67 PolarHBondContact O-N 2.85Å; Q64-Q68 WeakPolarHBondContact O-CB 3.48Å; Q64-Q68 PolarHBondContact O-N 3.39Å; Q64-V109 HydrophobicContact CB-CG1 3.76Å; Q64-V109 HydrophobicContact CG-CG1 4.05Å; Q64-V109 WeakPolarHBondContact O-CG1 3.31Å; Q64-A332 HydrophobicContact CG-CB 4.25Å
65	K	98.6	Very high	98.5	Very high	130 Å²	130	61.8 Å²	61.8	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-65.7	-38.7	172	-70.3	176.7	179.9	-175.1	0	112.4	K61 R62 I63 R69	K61-K65 WeakPolarHBondContact O-CG 3.27Å; K61-K65 PolarHBondContact O-N 3.18Å; R62-K65 WeakPolarHBondContact O-CB 3.25Å; R62-K65 PolarHBondContact O-N 2.88Å; I63-K65 VanDerWaalsContact C-N 3.29Å; I63-K65 PolarHBondContact O-N 2.78Å; K65-R69 WeakPolarHBondContact O-CG 3.33Å; K65-R69 PolarHBondContact O-N 2.94Å; K65-R69 VanDerWaalsContact O-N 3.11Å
66	E	98.7	Very high	98.4	Very high	88 Å²	88	64.5 Å²	64.5	41%	0.411	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-44.4	174	-65.6	164.8	-159.5	0	0	110.9	R62 I63 R69 G70 R200	R62-E66 PolarHBondContact O-N 3.06Å; R62-E66 VanDerWaalsContact O-N 3.09Å; I63-E66 WeakPolarHBondContact O-CA 3.42Å; I63-E66 WeakPolarHBondContact O-CB 3.36Å; I63-E66 PolarHBondContact O-N 3.13Å; E66-R69 PolarHBondContact O-N 2.97Å; E66-G70 PolarHBondContact O-N 2.82Å; E66-R200 IonicContact OE1-CZ 2.69Å; E66-R200 IonicContact OE1-NH1 3.24Å; E66-R200 PolarHBondContact OE1-NH1 2.93Å; E66-R200 IonicContact OE1-NH2 2.61Å; E66-R200 IonicContact OE2-CZ 3.84Å; E66-R200 IonicContact OE2-NH1 3.65Å; E66-R200 IonicContact OE2-NH2 3.53Å; E66-R200 PolarHBondContact OE2-NH2 3.43Å
67	I	98.7	Very high	98.4	Very high	7 Å²	7	70.4 Å²	70.4	4%	0.036	34%	0.341	C	S	.	.	H	α-helix	trans	-63.2	-47.3	176.7	-64.8	163.4	0	0	0	110.6	I63 Q64 R69 G70 V71 V109 I111 A332 L335 K336 L339	I63-I67 HydrophobicContact CG2-CD1 3.73Å; I63-I67 HydrophobicContact CG2-CG1 4.25Å; I63-I67 VanDerWaalsContact O-CG1 3.3Å; I63-I67 WeakPolarHBondContact O-CG1 3.16Å; I63-I67 PolarHBondContact O-N 3Å; Q64-I67 PolarHBondContact O-N 2.85Å; I67-R69 VanDerWaalsContact C-N 3.35Å; I67-R69 PolarHBondContact O-N 3.03Å; I67-G70 CarbonylContact O-C 3.5Å; I67-G70 WeakPolarHBondContact O-CA 3.33Å; I67-G70 PolarHBondContact O-N 2.88Å; I67-V71 HydrophobicContact CG2-CG2 4.23Å; I67-V71 WeakPolarHBondContact O-CG2 3.37Å; I67-V71 PolarHBondContact O-N 2.67Å; I67-V109 HydrophobicContact CG2-CB 4.04Å; I67-V109 HydrophobicContact CG2-CG1 4.48Å; I67-V109 HydrophobicContact CG2-CG2 3.88Å; I67-I111 HydrophobicContact CG2-CD1 4.24Å; I67-A332 VanDerWaalsContact CD1-O 3.22Å; I67-A332 WeakPolarHBondContact CD1-O 3.47Å; I67-L335 HydrophobicContact CD1-CB 4.01Å; I67-K336 HydrophobicContact CD1-CB 3.96Å; I67-K336 HydrophobicContact CG1-CB 4.27Å; I67-L339 HydrophobicContact CG2-CD2 4.28Å
68	Q	98.8	Very high	98.4	Very high	74 Å²	74	71.3 Å²	71.3	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-55.1	-49.8	178.7	-177	-174.1	-0.4	0	0	111.2	Q64 G70 V71 E72 V109	Q64-Q68 WeakPolarHBondContact O-CB 3.48Å; Q64-Q68 PolarHBondContact O-N 3.39Å; Q68-G70 VanDerWaalsContact C-N 3.26Å; Q68-G70 PolarHBondContact O-N 2.82Å; Q68-V71 PolarHBondContact O-N 3.48Å; Q68-V71 VanDerWaalsContact O-N 3.16Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.2Å; Q68-E72 PolarHBondContact NE2-OE1 2.89Å; Q68-E72 WeakPolarHBondContact O-CG 3.35Å; Q68-E72 PolarHBondContact O-N 2.94Å; Q68-V109 HydrophobicContact CB-CB 4.23Å
69	R	98.7	Very high	98.3	Very high	171 Å²	171	68.9 Å²	68.9	65%	0.645	35%	0.35	S	S	*	.	H	α-helix	trans	-59.5	-39.8	174.8	-69.5	172.8	-174.4	170.1	-0.4	111.8	K65 E66 I67 V71 E72 S73	K65-R69 WeakPolarHBondContact O-CG 3.33Å; K65-R69 PolarHBondContact O-N 2.94Å; K65-R69 VanDerWaalsContact O-N 3.11Å; E66-R69 PolarHBondContact O-N 2.97Å; I67-R69 VanDerWaalsContact C-N 3.35Å; I67-R69 PolarHBondContact O-N 3.03Å; R69-V71 VanDerWaalsContact C-N 3.33Å; R69-V71 PolarHBondContact O-N 3.39Å; R69-E72 PolarHBondContact O-N 3.44Å; R69-S73 VanDerWaalsContact O-CB 3.31Å; R69-S73 WeakPolarHBondContact O-CB 3.2Å; R69-S73 PolarHBondContact O-N 3.08Å
70	G	98.6	Very high	98.2	Very high	15 Å²	15	76.2 Å²	76.2	16%	0.155	38%	0.377	C	S	.	.	H	α-helix	trans	-63.9	-35.5	176.9	0	0	0	0	0	113.7	E66 I67 Q68 W74 K343	E66-G70 PolarHBondContact O-N 2.82Å; I67-G70 CarbonylContact O-C 3.5Å; I67-G70 WeakPolarHBondContact O-CA 3.33Å; I67-G70 PolarHBondContact O-N 2.88Å; Q68-G70 VanDerWaalsContact C-N 3.26Å; Q68-G70 PolarHBondContact O-N 2.82Å; G70-W74 VanDerWaalsContact O-CB 3.31Å; G70-W74 WeakPolarHBondContact O-CB 3.25Å; G70-W74 PolarHBondContact O-N 2.94Å; G70-W74 VanDerWaalsContact O-N 3.13Å; G70-K343 PolarHBondContact O-NZ 2.95Å
71	V	98.7	Very high	98.2	Very high	1 Å²	1	81.9 Å²	81.9	1%	0.006	40%	0.398	C	S	.	.	H	α-helix	trans	-72.5	-46.9	174.1	172.3	0	0	0	0	110.6	I67 Q68 R69 S73 W74 V75 P82 G110 I111 L339	I67-V71 HydrophobicContact CG2-CG2 4.23Å; I67-V71 WeakPolarHBondContact O-CG2 3.37Å; I67-V71 PolarHBondContact O-N 2.67Å; Q68-V71 PolarHBondContact O-N 3.48Å; Q68-V71 VanDerWaalsContact O-N 3.16Å; R69-V71 VanDerWaalsContact C-N 3.33Å; R69-V71 PolarHBondContact O-N 3.39Å; V71-S73 VanDerWaalsContact C-N 3.34Å; V71-S73 PolarHBondContact O-N 3.02Å; V71-W74 WeakPolarHBondContact O-CB 3.5Å; V71-W74 PolarHBondContact O-N 2.91Å; V71-V75 HydrophobicContact CG1-CG2 4.39Å; V71-V75 VanDerWaalsContact O-CG2 3.32Å; V71-V75 WeakPolarHBondContact O-CG2 3.42Å; V71-V75 PolarHBondContact O-N 2.93Å; V71-P82 HydrophobicContact CG2-CG 4.38Å; V71-G110 WeakPolarHBondContact CG1-O 2.9Å; V71-I111 HydrophobicContact CG2-CD1 4.41Å; V71-I111 HydrophobicContact CG2-CG1 3.91Å; V71-L339 HydrophobicContact CG2-CD1 3.87Å; V71-L339 HydrophobicContact CG2-CD2 4.39Å
72	E	98.4	Very high	98.2	Very high	100 Å²	100	75.9 Å²	75.9	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-46.6	177.8	-73.1	168	-176.8	0	0	111.1	Q68 R69 W74 V75 S76	Q68-E72 WeakPolarHBondContact CG-OE1 3.2Å; Q68-E72 PolarHBondContact NE2-OE1 2.89Å; Q68-E72 WeakPolarHBondContact O-CG 3.35Å; Q68-E72 PolarHBondContact O-N 2.94Å; R69-E72 PolarHBondContact O-N 3.44Å; E72-W74 PolarHBondContact O-N 3.38Å; E72-V75 PolarHBondContact O-N 3.16Å; E72-S76 WeakPolarHBondContact O-CB 3.31Å; E72-S76 PolarHBondContact O-N 2.8Å
73	S	98.4	Very high	98.2	Very high	63 Å²	63	70.2 Å²	70.2	44%	0.441	35%	0.352	S	S	.	.	H	α-helix	trans	-59.7	-46.8	174.3	174.3	0	0	0	0	111.7	R69 V71 V75 S76 L77	R69-S73 VanDerWaalsContact O-CB 3.31Å; R69-S73 WeakPolarHBondContact O-CB 3.2Å; R69-S73 PolarHBondContact O-N 3.08Å; V71-S73 VanDerWaalsContact C-N 3.34Å; V71-S73 PolarHBondContact O-N 3.02Å; S73-V75 VanDerWaalsContact C-N 3.35Å; S73-V75 PolarHBondContact O-N 3.28Å; S73-S76 PolarHBondContact O-N 3.18Å; S73-S76 PolarHBondContact O-OG 3.33Å; S73-L77 WeakPolarHBondContact O-CG 3.46Å; S73-L77 PolarHBondContact O-N 3.29Å
74	W	97.8	Very high	98.2	Very high	49 Å²	49	70.1 Å²	70.1	19%	0.186	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-45.1	178.5	177	-109.6	0	0	0	113	G70 V71 E72 L77 N79 R80 A342 K343	G70-W74 VanDerWaalsContact O-CB 3.31Å; G70-W74 WeakPolarHBondContact O-CB 3.25Å; G70-W74 PolarHBondContact O-N 2.94Å; G70-W74 VanDerWaalsContact O-N 3.13Å; V71-W74 WeakPolarHBondContact O-CB 3.5Å; V71-W74 PolarHBondContact O-N 2.91Å; E72-W74 PolarHBondContact O-N 3.38Å; W74-L77 PolarHBondContact O-N 3.15Å; W74-N79 HydrophobicContact CD2-CB 3.67Å; W74-N79 HydrophobicContact CE3-CB 4.27Å; W74-N79 HydrophobicContact CG-CB 4.09Å; W74-N79 HydrophobicContact CH2-CB 4.13Å; W74-N79 HydrophobicContact CZ2-CB 3.49Å; W74-N79 VanDerWaalsContact CZ2-CB 3.49Å; W74-N79 VanDerWaalsContact CZ2-CG 3.49Å; W74-N79 HydrophobicContact CZ3-CB 4.48Å; W74-N79 WeakPolarHBondContact CZ3-ND2 3.5Å; W74-N79 VanDerWaalsContact NE1-CB 3.32Å; W74-N79 WeakPolarHBondContact O-CB 3.21Å; W74-N79 PolarHBondContact O-ND2 3.44Å; W74-N79 VanDerWaalsContact O-ND2 3.08Å; W74-R80 VanDerWaalsContact CD1-O 3.29Å; W74-R80 PolarHBondContact NE1-O 2.7Å; W74-A342 VanDerWaalsContact CZ2-O 3.28Å; W74-A342 WeakPolarHBondContact CZ2-O 3.39Å; W74-K343 HydrophobicContact CD2-CG 3.93Å; W74-K343 HydrophobicContact CE3-CD 4.26Å; W74-K343 HydrophobicContact CE3-CG 3.68Å; W74-K343 HydrophobicContact CH2-CB 4.48Å; W74-K343 HydrophobicContact CH2-CG 4.25Å; W74-K343 HydrophobicContact CZ2-CG 4.49Å; W74-K343 HydrophobicContact CZ3-CB 4.33Å; W74-K343 HydrophobicContact CZ3-CG 3.84Å
75	V	98.1	Very high	98.2	Very high	42 Å²	42	68 Å²	68	26%	0.255	34%	0.342	S	S	.	.	H	α-helix	trans	-69.5	-37.2	178.6	175	0	0	0	0	111.6	V71 E72 S73 L77 G78 R81	V71-V75 HydrophobicContact CG1-CG2 4.39Å; V71-V75 VanDerWaalsContact O-CG2 3.32Å; V71-V75 WeakPolarHBondContact O-CG2 3.42Å; V71-V75 PolarHBondContact O-N 2.93Å; E72-V75 PolarHBondContact O-N 3.16Å; S73-V75 VanDerWaalsContact C-N 3.35Å; S73-V75 PolarHBondContact O-N 3.28Å; V75-L77 PolarHBondContact O-N 2.83Å; V75-G78 PolarHBondContact O-N 3.14Å; V75-R81 HydrophobicContact CG2-CB 4.44Å; V75-R81 HydrophobicContact CG2-CG 3.53Å
76	S	98	Very high	98.2	Very high	95 Å²	95	61.8 Å²	61.8	66%	0.664	32%	0.315	S	S	*	.	H	α-helix	trans	-62.7	-23.6	177.4	74	0	0	0	0	113.4	E72 S73 G78	E72-S76 WeakPolarHBondContact O-CB 3.31Å; E72-S76 PolarHBondContact O-N 2.8Å; S73-S76 PolarHBondContact O-N 3.18Å; S73-S76 PolarHBondContact O-OG 3.33Å; S76-G78 PolarHBondContact O-N 3.27Å
77	L	97.6	Very high	98.2	Very high	124 Å²	124	57.6 Å²	57.6	65%	0.649	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	5.9	172.9	-63.3	172.5	0	0	0	113.1	S73 W74 V75 N79	S73-L77 WeakPolarHBondContact O-CG 3.46Å; S73-L77 PolarHBondContact O-N 3.29Å; W74-L77 PolarHBondContact O-N 3.15Å; V75-L77 PolarHBondContact O-N 2.83Å; L77-N79 WeakPolarHBondContact CB-ND2 3.32Å
78	G	97.6	Very high	98.2	Very high	69 Å²	69	57.3 Å²	57.3	71%	0.711	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	2.6	179.5	0	0	0	0	0	114.6	V75 S76	V75-G78 PolarHBondContact O-N 3.14Å; S76-G78 PolarHBondContact O-N 3.27Å
79	N	97.7	Very high	98.2	Very high	59 Å²	59	54.3 Å²	54.3	32%	0.316	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-77.9	155.5	178.8	-57.3	-71.1	0	0	0	112.1	W74 L77	W74-N79 HydrophobicContact CD2-CB 3.67Å; W74-N79 HydrophobicContact CE3-CB 4.27Å; W74-N79 HydrophobicContact CG-CB 4.09Å; W74-N79 HydrophobicContact CH2-CB 4.13Å; W74-N79 HydrophobicContact CZ2-CB 3.49Å; W74-N79 VanDerWaalsContact CZ2-CB 3.49Å; W74-N79 VanDerWaalsContact CZ2-CG 3.49Å; W74-N79 HydrophobicContact CZ3-CB 4.48Å; W74-N79 WeakPolarHBondContact CZ3-ND2 3.5Å; W74-N79 VanDerWaalsContact NE1-CB 3.32Å; W74-N79 WeakPolarHBondContact O-CB 3.21Å; W74-N79 PolarHBondContact O-ND2 3.44Å; W74-N79 VanDerWaalsContact O-ND2 3.08Å; L77-N79 WeakPolarHBondContact CB-ND2 3.32Å
80	R	96.4	Very high	98	Very high	177 Å²	177	46.4 Å²	46.4	67%	0.668	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-66.3	147.2	173.4	-66.7	-179.2	180	168.5	0.2	110.8	W74	W74-R80 VanDerWaalsContact CD1-O 3.29Å; W74-R80 PolarHBondContact NE1-O 2.7Å
81	R	97.8	Very high	97.7	Very high	122 Å²	122	51.5 Å²	51.5	46%	0.46	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-58.5	139.4	171.9	-75.2	-178.9	-176.1	-77.9	-4.2	109.9	V75 G110	V75-R81 HydrophobicContact CG2-CB 4.44Å; V75-R81 HydrophobicContact CG2-CG 3.53Å; R81-G110 PolarHBondContact NH1-O 3.38Å
82	P	98.6	Very high	97.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-56.8	143.7	171.4	-23.3	33.7	0	0	0	111.2	V71 I111 C112 S141 T338 L339 A342	V71-P82 HydrophobicContact CG2-CG 4.38Å; P82-I111 HydrophobicContact CB-CG1 4.14Å; P82-I111 HydrophobicContact CB-CG2 4.41Å; P82-I111 HydrophobicContact CG-CG1 4.43Å; P82-C112 PolarHBondContact O-N 3.17Å; P82-S141 WeakPolarHBondContact CA-OG 3.44Å; P82-T338 HydrophobicContact CB-CG2 4.25Å; P82-L339 HydrophobicContact CG-CD1 3.89Å; P82-A342 HydrophobicContact CB-CB 3.68Å; P82-A342 HydrophobicContact CG-CB 3.73Å
83	H	98.6	Very high	96.7	Very high	42 Å²	42	55 Å²	55	19%	0.194	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.6	179.6	-164.9	124.4	0	0	0	110.8	C112 E114 R139 S141 G142	H83-C112 CarbonylContact C-O 3.58Å; H83-C112 WeakPolarHBondContact CA-O 3.32Å; H83-C112 HydrophobicContact CB-CB 4.42Å; H83-E114 IonicContact NE2-OE1 3.58Å; H83-R139 WeakPolarHBondContact CB-O 3.45Å; H83-S141 PolarHBondContact N-OG 2.85Å; H83-S141 WeakPolarHBondContact O-CA 3.31Å; H83-S141 WeakPolarHBondContact O-CB 3.4Å; H83-S141 PolarHBondContact O-N 3.32Å; H83-G142 PolarHBondContact O-N 3.07Å
84	L	98.8	Very high	96.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.3	176.4	177	60.2	0	0	0	111.2	I86 I111 C112 S113 E114 G142 L144 V168 L334 L335 T338	L84-I86 HydrophobicContact CD2-CD1 4.07Å; L84-I86 HydrophobicContact CD2-CG1 4.21Å; L84-I86 HydrophobicContact CG-CD1 4.3Å; L84-I86 HydrophobicContact CG-CG1 3.9Å; L84-I111 HydrophobicContact CB-CG2 4.18Å; L84-C112 PolarHBondContact N-O 3.27Å; L84-S113 WeakPolarHBondContact O-CA 3.47Å; L84-S113 WeakPolarHBondContact O-CB 3.3Å; L84-E114 PolarHBondContact O-N 2.89Å; L84-E114 VanDerWaalsContact O-N 3.08Å; L84-G142 WeakPolarHBondContact CA-O 3.49Å; L84-L144 HydrophobicContact CD1-CB 4.32Å; L84-V168 HydrophobicContact CD1-CG2 3.75Å; L84-L334 HydrophobicContact CD2-CD2 4.3Å; L84-L335 HydrophobicContact CD2-CD2 4.2Å; L84-T338 HydrophobicContact CB-CG2 4.05Å
85	S	98.7	Very high	95.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.2	174.3	-53.7	0	0	0	0	109.9	E114 G142 I143 L144	S85-E114 WeakPolarHBondContact CB-OE1 3.33Å; S85-E114 PolarHBondContact OG-OE1 3.38Å; S85-G142 PolarHBondContact N-O 3.07Å; S85-I143 WeakPolarHBondContact O-CA 3.33Å; S85-L144 PolarHBondContact O-N 2.8Å
86	I	98.5	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.4	-176.9	-50	-177.3	0	0	0	109.4	L84 V99 K102 I103 E114 L115 I116 L144	L84-I86 HydrophobicContact CD2-CD1 4.07Å; L84-I86 HydrophobicContact CD2-CG1 4.21Å; L84-I86 HydrophobicContact CG-CD1 4.3Å; L84-I86 HydrophobicContact CG-CG1 3.9Å; I86-V99 HydrophobicContact CG2-CG1 4.03Å; I86-V99 HydrophobicContact CG2-CG2 4.03Å; I86-K102 HydrophobicContact CD1-CB 4.06Å; I86-I103 HydrophobicContact CD1-CG1 3.9Å; I86-E114 PolarHBondContact N-O 3.29Å; I86-L115 HydrophobicContact CB-CD1 4.4Å; I86-L115 HydrophobicContact CG2-CD1 4.35Å; I86-L115 WeakPolarHBondContact O-CA 3.15Å; I86-L115 WeakPolarHBondContact O-CD1 3.5Å; I86-I116 PolarHBondContact O-N 3.2Å; I86-L144 CarbonylContact C-O 3.57Å; I86-L144 WeakPolarHBondContact CA-O 3.35Å; I86-L144 HydrophobicContact CB-CD2 4.43Å; I86-L144 HydrophobicContact CD1-CD2 4.22Å; I86-L144 HydrophobicContact CG1-CD2 4.1Å; I86-L144 HydrophobicContact CG2-CD2 3.72Å; I86-L144 HydrophobicContact CG2-CG 4.1Å
87	I	98.5	Very high	95	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.7	173.4	-58.2	164	0	0	0	108.3	V89 I116 L127 I130 T131 L134 I143 L144 V145 Q146	I87-V89 HydrophobicContact CG2-CG2 4.39Å; I87-I116 WeakPolarHBondContact CA-O 3.49Å; I87-I116 HydrophobicContact CG1-CB 4.3Å; I87-I116 HydrophobicContact CG1-CD1 4.33Å; I87-L127 HydrophobicContact CG2-CD2 4.02Å; I87-I130 HydrophobicContact CD1-CG2 3.76Å; I87-I130 HydrophobicContact CG1-CG2 4.17Å; I87-T131 HydrophobicContact CD1-CG2 4Å; I87-L134 HydrophobicContact CD1-CD1 3.94Å; I87-L134 HydrophobicContact CG1-CD1 4.29Å; I87-I143 HydrophobicContact CD1-CG2 4.45Å; I87-L144 PolarHBondContact N-O 3.47Å; I87-V145 HydrophobicContact CB-CG2 4.09Å; I87-V145 HydrophobicContact CD1-CG2 3.78Å; I87-V145 HydrophobicContact CG1-CG2 4.45Å; I87-Q146 PolarHBondContact O-N 2.96Å
88	L	98.1	Very high	94.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.2	176.7	175.7	60	0	0	0	109.4	V99 L115 I116 L117 K118 Q146	L88-V99 HydrophobicContact CD1-CG2 4.28Å; L88-V99 HydrophobicContact CD2-CB 4.37Å; L88-V99 HydrophobicContact CD2-CG1 4.48Å; L88-V99 HydrophobicContact CD2-CG2 4.22Å; L88-L115 HydrophobicContact CB-CD1 3.77Å; L88-L115 HydrophobicContact CD2-CD1 4.48Å; L88-I116 PolarHBondContact N-O 3.45Å; L88-L117 HydrophobicContact CB-CD1 4.13Å; L88-L117 HydrophobicContact CD2-CD1 3.9Å; L88-L117 HydrophobicContact CG-CD1 3.86Å; L88-L117 WeakPolarHBondContact O-CA 3.38Å; L88-K118 PolarHBondContact O-N 3.02Å; L88-Q146 HydrophobicContact CD1-CB 4Å; L88-Q146 HydrophobicContact CD1-CG 3.89Å
89	V	98	Very high	94.5	Very high	11 Å²	11	44 Å²	44	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.6	179.7	-177.2	0	0	0	0	110.2	I87 K118 P119 V122 L127 L149 P150	I87-V89 HydrophobicContact CG2-CG2 4.39Å; V89-K118 WeakPolarHBondContact CA-O 3.41Å; V89-K118 HydrophobicContact CG2-CB 4.32Å; V89-P119 WeakPolarHBondContact CG1-O 3.37Å; V89-V122 HydrophobicContact CB-CG1 4.45Å; V89-V122 HydrophobicContact CG1-CG1 3.49Å; V89-V122 VanDerWaalsContact CG1-CG1 3.49Å; V89-V122 HydrophobicContact CG2-CG1 4.07Å; V89-L127 HydrophobicContact CG2-CD1 4.19Å; V89-L127 HydrophobicContact CG2-CD2 3.8Å; V89-L149 HydrophobicContact CB-CD2 3.92Å; V89-L149 HydrophobicContact CG2-CD2 3.68Å; V89-P150 HydrophobicContact CG1-CG 3.59Å
90	G	95.1	Very high	94.4	Very high	5 Å²	5	47.1 Å²	47.1	5%	0.052	23%	0.226	C	C	.	.	S	Bend	trans	76.8	-166.4	176.5	0	0	0	0	0	115.3	H96 K118	G90-H96 PolarHBondContact O-NE2 2.81Å; G90-K118 PolarHBondContact N-O 3.4Å
91	D	91.6	Very high	94.3	Very high	121 Å²	121	42.1 Å²	42.1	65%	0.647	21%	0.212	S	C	*	.			trans	-117.3	21	-163.5	-58.6	-58.2	0	0	0	114	P93	D91-P93 WeakPolarHBondContact O-CD 3.08Å; D91-P93 VanDerWaalsContact O-N 3.1Å
92	N	89.6	Confident	94.2	Very high	77 Å²	77	37.1 Å²	37.1	41%	0.412	19%	0.194	S	C	.	.			trans	-60.2	115.4	179.6	-176.5	-42.5	0	0	0	110.6	A94 S95 H96	N92-A94 PolarHBondContact O-N 3.38Å; N92-A94 WeakPolarHBondContact OD1-CB 3.35Å; N92-A94 PolarHBondContact OD1-N 2.81Å; N92-S95 WeakPolarHBondContact O-CB 3.41Å; N92-S95 PolarHBondContact O-N 3.12Å; N92-S95 VanDerWaalsContact O-N 3.08Å; N92-S95 PolarHBondContact OD1-N 3.23Å; N92-H96 PolarHBondContact O-CD2 3.15Å; N92-H96 VanDerWaalsContact O-CD2 3.32Å; N92-H96 PolarHBondContact O-N 3.32Å
93	P	87.9	Confident	94.2	Very high	99 Å²	99	39.3 Å²	39.3	64%	0.643	21%	0.205	S	C	*	.	H	α-helix	trans	-60.6	-31.6	-174.1	-26.1	35.7	0	0	0	114.2	D91 T97	D91-P93 WeakPolarHBondContact O-CD 3.08Å; D91-P93 VanDerWaalsContact O-N 3.1Å; P93-T97 PolarHBondContact O-N 3.38Å; P93-T97 VanDerWaalsContact O-N 3.08Å; P93-T97 PolarHBondContact O-OG1 3.28Å
94	A	86	Confident	94.1	Very high	23 Å²	23	45 Å²	45	19%	0.19	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-47.9	176.2	0	0	0	0	0	110.4	N92 H96 T97 Y98 Y292	N92-A94 PolarHBondContact O-N 3.38Å; N92-A94 WeakPolarHBondContact OD1-CB 3.35Å; N92-A94 PolarHBondContact OD1-N 2.81Å; A94-H96 VanDerWaalsContact C-N 3.34Å; A94-H96 PolarHBondContact O-N 3.49Å; A94-T97 WeakPolarHBondContact O-CB 3.45Å; A94-T97 PolarHBondContact O-N 2.78Å; A94-T97 VanDerWaalsContact O-N 3.12Å; A94-Y98 HydrophobicContact CB-CE2 4.31Å; A94-Y98 WeakPolarHBondContact O-CD2 3.27Å; A94-Y98 PolarHBondContact O-N 3.1Å; A94-Y292 HydrophobicContact CB-CE2 4.04Å
95	S	89.4	Confident	94	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-44.7	176.7	-58.4	0	0	0	0	111.9	N92 T97 Y98 V99	N92-S95 WeakPolarHBondContact O-CB 3.41Å; N92-S95 PolarHBondContact O-N 3.12Å; N92-S95 VanDerWaalsContact O-N 3.08Å; N92-S95 PolarHBondContact OD1-N 3.23Å; S95-T97 VanDerWaalsContact C-N 3.32Å; S95-T97 PolarHBondContact O-N 2.84Å; S95-Y98 PolarHBondContact O-N 2.78Å; S95-V99 WeakPolarHBondContact O-CB 3.3Å; S95-V99 WeakPolarHBondContact O-CG2 3.36Å; S95-V99 PolarHBondContact O-N 2.65Å
96	H	91.8	Very high	94	Very high	48 Å²	48	45.6 Å²	45.6	22%	0.222	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-42.4	174.9	-85.7	-88.2	0	0	0	112.5	G90 N92 A94 R100	G90-H96 PolarHBondContact O-NE2 2.81Å; N92-H96 PolarHBondContact O-CD2 3.15Å; N92-H96 VanDerWaalsContact O-CD2 3.32Å; N92-H96 PolarHBondContact O-N 3.32Å; A94-H96 VanDerWaalsContact C-N 3.34Å; A94-H96 PolarHBondContact O-N 3.49Å; H96-R100 VanDerWaalsContact O-CB 3.31Å; H96-R100 WeakPolarHBondContact O-CB 3.36Å; H96-R100 PolarHBondContact O-N 2.76Å
97	T	89.8	Confident	94	Very high	62 Å²	62	49.7 Å²	49.7	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-43.5	177.6	-59.7	0	0	0	0	111.6	P93 A94 S95 R100 N101	P93-T97 PolarHBondContact O-N 3.38Å; P93-T97 VanDerWaalsContact O-N 3.08Å; P93-T97 PolarHBondContact O-OG1 3.28Å; A94-T97 WeakPolarHBondContact O-CB 3.45Å; A94-T97 PolarHBondContact O-N 2.78Å; A94-T97 VanDerWaalsContact O-N 3.12Å; S95-T97 VanDerWaalsContact C-N 3.32Å; S95-T97 PolarHBondContact O-N 2.84Å; T97-R100 PolarHBondContact O-N 3.31Å; T97-N101 VanDerWaalsContact O-CG 3.28Å; T97-N101 PolarHBondContact O-N 3.49Å; T97-N101 PolarHBondContact O-ND2 2.89Å
98	Y	89.3	Confident	94	Very high	65 Å²	65	52.7 Å²	52.7	26%	0.255	28%	0.283	S	S	.	.	H	α-helix	trans	-62	-47.3	176.4	-76.8	-63.5	0	0	0	112.2	A94 S95 R100 N101 K102 I290	A94-Y98 HydrophobicContact CB-CE2 4.31Å; A94-Y98 WeakPolarHBondContact O-CD2 3.27Å; A94-Y98 PolarHBondContact O-N 3.1Å; S95-Y98 PolarHBondContact O-N 2.78Å; Y98-R100 PolarHBondContact O-N 3.04Å; Y98-N101 WeakPolarHBondContact O-CB 3.48Å; Y98-N101 PolarHBondContact O-N 2.94Å; Y98-K102 WeakPolarHBondContact O-CG 3.44Å; Y98-K102 PolarHBondContact O-N 3.05Å; Y98-I290 WeakPolarHBondContact OH-CD1 3.14Å; Y98-I290 WeakPolarHBondContact OH-CG2 3.43Å
99	V	94.9	Very high	94	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-44	178.7	168.4	0	0	0	0	111.2	I86 L88 S95 N101 K102 I103 L115 Q146	I86-V99 HydrophobicContact CG2-CG1 4.03Å; I86-V99 HydrophobicContact CG2-CG2 4.03Å; L88-V99 HydrophobicContact CD1-CG2 4.28Å; L88-V99 HydrophobicContact CD2-CB 4.37Å; L88-V99 HydrophobicContact CD2-CG1 4.48Å; L88-V99 HydrophobicContact CD2-CG2 4.22Å; S95-V99 WeakPolarHBondContact O-CB 3.3Å; S95-V99 WeakPolarHBondContact O-CG2 3.36Å; S95-V99 PolarHBondContact O-N 2.65Å; V99-N101 VanDerWaalsContact C-N 3.27Å; V99-N101 PolarHBondContact O-N 3.29Å; V99-K102 WeakPolarHBondContact O-CB 3.45Å; V99-K102 PolarHBondContact O-N 2.94Å; V99-K102 VanDerWaalsContact O-N 3.13Å; V99-I103 HydrophobicContact CG1-CD1 3.83Å; V99-I103 HydrophobicContact CG1-CG1 4.48Å; V99-I103 WeakPolarHBondContact O-CG1 3.38Å; V99-I103 PolarHBondContact O-N 3.5Å; V99-L115 HydrophobicContact CG1-CD1 3.63Å; V99-L115 HydrophobicContact CG1-CD2 4.15Å; V99-L115 HydrophobicContact CG1-CG 4.47Å; V99-Q146 HydrophobicContact CG2-CB 3.94Å; V99-Q146 HydrophobicContact CG2-CG 3.73Å
100	R	95	Very high	94	Very high	126 Å²	126	53.4 Å²	53.4	48%	0.475	29%	0.293	S	S	.	.	H	α-helix	trans	-57.6	-41.4	174.9	-172.8	-174.8	-61.2	144.8	1.2	112	H96 T97 Y98 R104	H96-R100 VanDerWaalsContact O-CB 3.31Å; H96-R100 WeakPolarHBondContact O-CB 3.36Å; H96-R100 PolarHBondContact O-N 2.76Å; T97-R100 PolarHBondContact O-N 3.31Å; Y98-R100 PolarHBondContact O-N 3.04Å; R100-R104 WeakPolarHBondContact O-CB 3.13Å; R100-R104 VanDerWaalsContact O-CG 3.3Å; R100-R104 WeakPolarHBondContact O-CG 3.17Å; R100-R104 PolarHBondContact O-N 2.91Å
101	N	93.3	Very high	94.2	Very high	71 Å²	71	53.3 Å²	53.3	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-39.8	177.2	-70.3	-19.4	0	0	0	112.1	T97 Y98 V99 R104 A105	T97-N101 VanDerWaalsContact O-CG 3.28Å; T97-N101 PolarHBondContact O-N 3.49Å; T97-N101 PolarHBondContact O-ND2 2.89Å; Y98-N101 WeakPolarHBondContact O-CB 3.48Å; Y98-N101 PolarHBondContact O-N 2.94Å; V99-N101 VanDerWaalsContact C-N 3.27Å; V99-N101 PolarHBondContact O-N 3.29Å; N101-R104 PolarHBondContact O-N 3.39Å; N101-A105 WeakPolarHBondContact O-CB 3.36Å; N101-A105 PolarHBondContact O-N 3.47Å
102	K	96.9	Very high	94.5	Very high	17 Å²	17	50.2 Å²	50.2	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-47.7	174.8	-69.7	172.4	174.9	-177.8	0	111.5	I86 Y98 V99 A105 A106 L144 V331 L334	I86-K102 HydrophobicContact CD1-CB 4.06Å; Y98-K102 WeakPolarHBondContact O-CG 3.44Å; Y98-K102 PolarHBondContact O-N 3.05Å; V99-K102 WeakPolarHBondContact O-CB 3.45Å; V99-K102 PolarHBondContact O-N 2.94Å; V99-K102 VanDerWaalsContact O-N 3.13Å; K102-A105 PolarHBondContact O-N 3.06Å; K102-A106 WeakPolarHBondContact O-CB 3.27Å; K102-A106 PolarHBondContact O-N 3.29Å; K102-L144 HydrophobicContact CD-CD2 3.56Å; K102-V331 HydrophobicContact CG-CG1 4.36Å; K102-V331 HydrophobicContact CG-CG2 4.32Å; K102-L334 HydrophobicContact CB-CD2 4.41Å; K102-L334 HydrophobicContact CD-CD2 3.61Å; K102-L334 HydrophobicContact CG-CD2 3.87Å
103	I	97.6	Very high	94.9	Very high	47 Å²	47	48.3 Å²	48.3	24%	0.241	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-47.3	178	-68.3	167.3	0	0	0	111.4	I86 V99 A105 A106 S107 L115	I86-I103 HydrophobicContact CD1-CG1 3.9Å; V99-I103 HydrophobicContact CG1-CD1 3.83Å; V99-I103 HydrophobicContact CG1-CG1 4.48Å; V99-I103 WeakPolarHBondContact O-CG1 3.38Å; V99-I103 PolarHBondContact O-N 3.5Å; I103-A105 VanDerWaalsContact C-N 3.32Å; I103-A105 PolarHBondContact O-N 3.43Å; I103-A106 PolarHBondContact O-N 3.04Å; I103-S107 PolarHBondContact O-N 3Å; I103-L115 HydrophobicContact CD1-CB 4Å; I103-L115 HydrophobicContact CD1-CD2 4.26Å
104	R	97.4	Very high	95.3	Very high	162 Å²	162	47 Å²	47	61%	0.611	26%	0.256	S	S	*	.	H	α-helix	trans	-59.3	-43.9	177.4	-75.8	174.2	177	-180	-3.6	111.7	R100 N101 A108	R100-R104 WeakPolarHBondContact O-CB 3.13Å; R100-R104 VanDerWaalsContact O-CG 3.3Å; R100-R104 WeakPolarHBondContact O-CG 3.17Å; R100-R104 PolarHBondContact O-N 2.91Å; N101-R104 PolarHBondContact O-N 3.39Å; R104-A108 WeakPolarHBondContact O-CB 3.35Å; R104-A108 PolarHBondContact O-N 2.83Å
105	A	97.6	Very high	95.9	Very high	11 Å²	11	49.5 Å²	49.5	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-40	178.8	0	0	0	0	0	112.1	N101 K102 I103 A108 V109 V331 L335	N101-A105 WeakPolarHBondContact O-CB 3.36Å; N101-A105 PolarHBondContact O-N 3.47Å; K102-A105 PolarHBondContact O-N 3.06Å; I103-A105 VanDerWaalsContact C-N 3.32Å; I103-A105 PolarHBondContact O-N 3.43Å; A105-A108 PolarHBondContact O-N 2.95Å; A105-V109 WeakPolarHBondContact O-CG2 3.39Å; A105-V109 PolarHBondContact O-N 2.89Å; A105-V331 HydrophobicContact CB-CG1 3.62Å; A105-L335 VanDerWaalsContact C-CD1 3.49Å; A105-L335 HydrophobicContact CB-CD1 3.67Å
106	A	98.4	Very high	96.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-50	174.4	0	0	0	0	0	111.2	K102 I103 A108 V109 G110 I111 L335	K102-A106 WeakPolarHBondContact O-CB 3.27Å; K102-A106 PolarHBondContact O-N 3.29Å; I103-A106 PolarHBondContact O-N 3.04Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.16Å; A106-V109 VanDerWaalsContact O-CG2 3.31Å; A106-V109 WeakPolarHBondContact O-CG2 3.46Å; A106-V109 PolarHBondContact O-N 3.04Å; A106-G110 PolarHBondContact O-N 3.19Å; A106-I111 CarbonylContact C-O 3.57Å; A106-I111 HydrophobicContact CB-CB 4.15Å; A106-I111 HydrophobicContact CB-CG2 4.11Å; A106-I111 PolarHBondContact O-N 3.34Å; A106-L335 HydrophobicContact CB-CD2 3.68Å
107	S	98	Very high	96.6	Very high	86 Å²	86	52.8 Å²	52.8	60%	0.601	28%	0.283	S	S	*	.	H	α-helix	trans	-58.9	-43.8	176.9	-177.1	0	0	0	0	112	I103 V109 G110	I103-S107 PolarHBondContact O-N 3Å; S107-V109 PolarHBondContact O-N 2.89Å; S107-G110 PolarHBondContact O-N 3.01Å
108	A	97.8	Very high	97	Very high	64 Å²	64	52.2 Å²	52.2	53%	0.529	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-27	-179.4	0	0	0	0	0	113.8	R104 A105 A106	R104-A108 WeakPolarHBondContact O-CB 3.35Å; R104-A108 PolarHBondContact O-N 2.83Å; A105-A108 PolarHBondContact O-N 2.95Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.16Å
109	V	98.5	Very high	97.4	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	6.3	176.7	-55.3	0	0	0	0	113.3	Q64 I67 Q68 A105 A106 S107 I111 L335	Q64-V109 HydrophobicContact CB-CG1 3.76Å; Q64-V109 HydrophobicContact CG-CG1 4.05Å; Q64-V109 WeakPolarHBondContact O-CG1 3.31Å; I67-V109 HydrophobicContact CG2-CB 4.04Å; I67-V109 HydrophobicContact CG2-CG1 4.48Å; I67-V109 HydrophobicContact CG2-CG2 3.88Å; Q68-V109 HydrophobicContact CB-CB 4.23Å; A105-V109 WeakPolarHBondContact O-CG2 3.39Å; A105-V109 PolarHBondContact O-N 2.89Å; A106-V109 VanDerWaalsContact O-CG2 3.31Å; A106-V109 WeakPolarHBondContact O-CG2 3.46Å; A106-V109 PolarHBondContact O-N 3.04Å; S107-V109 PolarHBondContact O-N 2.89Å; V109-I111 HydrophobicContact CG2-CB 4.27Å; V109-I111 HydrophobicContact CG2-CD1 3.75Å; V109-I111 HydrophobicContact CG2-CG1 3.88Å; V109-L335 HydrophobicContact CG2-CD1 3.93Å
110	G	98.3	Very high	97.5	Very high	24 Å²	24	59.3 Å²	59.3	25%	0.247	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	16.7	177.1	0	0	0	0	0	115.4	V71 R81 A106 S107	V71-G110 WeakPolarHBondContact CG1-O 2.9Å; R81-G110 PolarHBondContact NH1-O 3.38Å; A106-G110 PolarHBondContact O-N 3.19Å; S107-G110 PolarHBondContact O-N 3.01Å
111	I	98.7	Very high	97.6	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.015	32%	0.323	C	S	.	.			trans	-87.2	131.5	172.4	-68.4	174.2	0	0	0	108.7	I67 V71 P82 L84 A106 V109 L335 T338	I67-I111 HydrophobicContact CG2-CD1 4.24Å; V71-I111 HydrophobicContact CG2-CD1 4.41Å; V71-I111 HydrophobicContact CG2-CG1 3.91Å; P82-I111 HydrophobicContact CB-CG1 4.14Å; P82-I111 HydrophobicContact CB-CG2 4.41Å; P82-I111 HydrophobicContact CG-CG1 4.43Å; L84-I111 HydrophobicContact CB-CG2 4.18Å; A106-I111 CarbonylContact C-O 3.57Å; A106-I111 HydrophobicContact CB-CB 4.15Å; A106-I111 HydrophobicContact CB-CG2 4.11Å; A106-I111 PolarHBondContact O-N 3.34Å; V109-I111 HydrophobicContact CG2-CB 4.27Å; V109-I111 HydrophobicContact CG2-CD1 3.75Å; V109-I111 HydrophobicContact CG2-CG1 3.88Å; I111-L335 HydrophobicContact CD1-CB 4.12Å; I111-L335 HydrophobicContact CD1-CD2 4.27Å; I111-T338 HydrophobicContact CD1-CG2 4.36Å; I111-T338 HydrophobicContact CG2-CG2 4.08Å
112	C	98.3	Very high	97.9	Very high	55 Å²	55	55.9 Å²	55.9	37%	0.372	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	143.2	171.7	-66.9	0	0	0	0	109.3	P82 H83 L84	P82-C112 PolarHBondContact O-N 3.17Å; H83-C112 CarbonylContact C-O 3.58Å; H83-C112 WeakPolarHBondContact CA-O 3.32Å; H83-C112 HydrophobicContact CB-CB 4.42Å; L84-C112 PolarHBondContact N-O 3.27Å
113	S	97.6	Very high	97.9	Very high	38 Å²	38	57.5 Å²	57.5	27%	0.266	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.1	176.2	62.8	0	0	0	0	112.1	L84	L84-S113 WeakPolarHBondContact O-CA 3.47Å; L84-S113 WeakPolarHBondContact O-CB 3.3Å
114	E	97.5	Very high	98	Very high	71 Å²	71	58.2 Å²	58.2	33%	0.332	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.4	171.5	67.9	-177.3	157.3	0	0	111.2	H83 L84 S85 I86	H83-E114 IonicContact NE2-OE1 3.58Å; L84-E114 PolarHBondContact O-N 2.89Å; L84-E114 VanDerWaalsContact O-N 3.08Å; S85-E114 WeakPolarHBondContact CB-OE1 3.33Å; S85-E114 PolarHBondContact OG-OE1 3.38Å; I86-E114 PolarHBondContact N-O 3.29Å
115	L	98.1	Very high	98	Very high	75 Å²	75	57.2 Å²	57.2	39%	0.393	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.5	176	176.7	57.6	0	0	0	109.3	I86 L88 V99 I103	I86-L115 HydrophobicContact CB-CD1 4.4Å; I86-L115 HydrophobicContact CG2-CD1 4.35Å; I86-L115 WeakPolarHBondContact O-CA 3.15Å; I86-L115 WeakPolarHBondContact O-CD1 3.5Å; L88-L115 HydrophobicContact CB-CD1 3.77Å; L88-L115 HydrophobicContact CD2-CD1 4.48Å; V99-L115 HydrophobicContact CG1-CD1 3.63Å; V99-L115 HydrophobicContact CG1-CD2 4.15Å; V99-L115 HydrophobicContact CG1-CG 4.47Å; I103-L115 HydrophobicContact CD1-CB 4Å; I103-L115 HydrophobicContact CD1-CD2 4.26Å
116	I	98.4	Very high	98.1	Very high	35 Å²	35	60 Å²	60	18%	0.179	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	100.2	171.7	-56.8	173.4	0	0	0	106.9	I86 I87 L88 K118 I130 L134	I86-I116 PolarHBondContact O-N 3.2Å; I87-I116 WeakPolarHBondContact CA-O 3.49Å; I87-I116 HydrophobicContact CG1-CB 4.3Å; I87-I116 HydrophobicContact CG1-CD1 4.33Å; L88-I116 PolarHBondContact N-O 3.45Å; I116-K118 HydrophobicContact CG2-CG 4.43Å; I116-I130 HydrophobicContact CD1-CG2 3.92Å; I116-I130 HydrophobicContact CG2-CG2 4.39Å; I116-L134 HydrophobicContact CD1-CD1 3.95Å; I116-L134 HydrophobicContact CD1-CD2 4.17Å; I116-L134 HydrophobicContact CD1-CG 4.43Å
117	L	97.9	Very high	98.1	Very high	91 Å²	91	60.1 Å²	60.1	48%	0.476	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.4	177.1	-174.6	66.2	0	0	0	109.9	L88	L88-L117 HydrophobicContact CB-CD1 4.13Å; L88-L117 HydrophobicContact CD2-CD1 3.9Å; L88-L117 HydrophobicContact CG-CD1 3.86Å; L88-L117 WeakPolarHBondContact O-CA 3.38Å
118	K	98.3	Very high	98.1	Very high	51 Å²	51	58 Å²	58	22%	0.222	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.2	175.6	-69.8	-71.6	165.5	164.3	0	110.9	L88 V89 G90 I116 V122 E126 I130	L88-K118 PolarHBondContact O-N 3.02Å; V89-K118 WeakPolarHBondContact CA-O 3.41Å; V89-K118 HydrophobicContact CG2-CB 4.32Å; G90-K118 PolarHBondContact N-O 3.4Å; I116-K118 HydrophobicContact CG2-CG 4.43Å; K118-V122 HydrophobicContact CB-CB 4.1Å; K118-V122 HydrophobicContact CB-CG1 4.21Å; K118-V122 HydrophobicContact CB-CG2 4.09Å; K118-V122 HydrophobicContact CD-CG2 4.16Å; K118-V122 HydrophobicContact CG-CG2 4.24Å; K118-E126 WeakPolarHBondContact CD-OE1 3.32Å; K118-E126 IonicContact NZ-OE1 2.65Å; K118-E126 PolarHBondContact NZ-OE1 3.31Å; K118-I130 HydrophobicContact CD-CD1 4.1Å; K118-I130 VanDerWaalsContact CE-CD1 3.42Å; K118-I130 HydrophobicContact CG-CD1 4.16Å
119	P	97.8	Very high	98.1	Very high	70 Å²	70	58.9 Å²	58.9	46%	0.455	31%	0.313	S	S	.	.			trans	-70.1	161.6	178.2	34.5	-38.1	0	0	0	110.4	V89 D121 V122	V89-P119 WeakPolarHBondContact CG1-O 3.37Å; P119-D121 WeakPolarHBondContact CB-OD1 3.35Å; P119-D121 WeakPolarHBondContact CG-OD1 3.47Å; P119-D121 PolarHBondContact O-N 2.69Å; P119-D121 VanDerWaalsContact O-N 3.1Å; P119-V122 WeakPolarHBondContact O-CB 3.37Å; P119-V122 WeakPolarHBondContact O-CG1 3.42Å; P119-V122 PolarHBondContact O-N 2.82Å; P119-V122 VanDerWaalsContact O-N 3.16Å
120	K	96.9	Very high	98.1	Very high	146 Å²	146	59.5 Å²	59.5	64%	0.635	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.1	-176	69.1	175.6	-177.6	176.6	0	114.2	P150 H152	K120-P150 VanDerWaalsContact O-CG 3.27Å; K120-P150 WeakPolarHBondContact O-CG 3.35Å; K120-H152 PolarHBondContact O-CE1 3.45Å; K120-H152 VanDerWaalsContact O-CE1 3.24Å
121	D	97.1	Very high	98.1	Very high	122 Å²	122	58.3 Å²	58.3	65%	0.652	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	6.1	-177.8	61	-22.3	0	0	0	113	P119 S123	P119-D121 WeakPolarHBondContact CB-OD1 3.35Å; P119-D121 WeakPolarHBondContact CG-OD1 3.47Å; P119-D121 PolarHBondContact O-N 2.69Å; P119-D121 VanDerWaalsContact O-N 3.1Å; D121-S123 PolarHBondContact O-N 3.23Å
122	V	98	Very high	98.1	Very high	3 Å²	3	62 Å²	62	2%	0.018	32%	0.324	C	S	.	.			trans	-50	137.8	171.8	68.8	0	0	0	0	110.9	V89 K118 P119 E126 L127 H152	V89-V122 HydrophobicContact CB-CG1 4.45Å; V89-V122 HydrophobicContact CG1-CG1 3.49Å; V89-V122 VanDerWaalsContact CG1-CG1 3.49Å; V89-V122 HydrophobicContact CG2-CG1 4.07Å; K118-V122 HydrophobicContact CB-CB 4.1Å; K118-V122 HydrophobicContact CB-CG1 4.21Å; K118-V122 HydrophobicContact CB-CG2 4.09Å; K118-V122 HydrophobicContact CD-CG2 4.16Å; K118-V122 HydrophobicContact CG-CG2 4.24Å; P119-V122 WeakPolarHBondContact O-CB 3.37Å; P119-V122 WeakPolarHBondContact O-CG1 3.42Å; P119-V122 PolarHBondContact O-N 2.82Å; P119-V122 VanDerWaalsContact O-N 3.16Å; V122-E126 HydrophobicContact CG2-CB 4Å; V122-E126 HydrophobicContact CG2-CG 4.03Å; V122-L127 HydrophobicContact CG1-CD1 3.94Å; V122-L127 HydrophobicContact CG1-CD2 4.06Å; V122-L127 HydrophobicContact CG1-CG 3.99Å; V122-L127 HydrophobicContact CG2-CD2 4.04Å; V122-L127 HydrophobicContact CG2-CG 3.99Å; V122-H152 PolarHBondContact O-NE2 2.59Å
123	S	98.3	Very high	98.1	Very high	50 Å²	50	65.8 Å²	65.8	35%	0.35	34%	0.336	S	S	.	.			trans	-77.6	157.5	178.5	76.7	0	0	0	0	111.1	D121 E125 E126 L127	D121-S123 PolarHBondContact O-N 3.23Å; S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 2.93Å; S123-E126 PolarHBondContact O-N 2.61Å; S123-E126 WeakPolarHBondContact OG-CB 3.39Å; S123-E126 PolarHBondContact OG-N 3.44Å; S123-L127 PolarHBondContact O-N 3.19Å
124	Q	98.5	Very high	98.2	Very high	63 Å²	63	64.6 Å²	64.6	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-38.9	172.7	-177.4	174.1	-70	0	0	111.8	L127 L128 V153 I158	Q124-L127 PolarHBondContact O-N 2.75Å; Q124-L128 HydrophobicContact CG-CD1 4.22Å; Q124-L128 WeakPolarHBondContact O-CG 3.46Å; Q124-L128 PolarHBondContact O-N 3.33Å; Q124-V153 HydrophobicContact CB-CG1 4.41Å; Q124-V153 HydrophobicContact CG-CG1 4.34Å; Q124-I158 HydrophobicContact CG-CD1 3.93Å
125	E	98.5	Very high	98.2	Very high	141 Å²	141	62.2 Å²	62.2	66%	0.659	32%	0.316	S	S	*	.	H	α-helix	trans	-60.4	-45.8	177.4	-175.7	176.5	-165.4	0	0	111.3	S123 L127 L128 D129	S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 2.93Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.71Å; E125-L128 PolarHBondContact O-N 3.21Å; E125-L128 VanDerWaalsContact O-N 3.1Å; E125-D129 PolarHBondContact O-N 3.01Å
126	E	98.6	Very high	98.2	Very high	70 Å²	70	66 Å²	66	33%	0.327	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-38.2	177.9	-174.7	-177.6	162.4	0	0	111.8	K118 V122 S123 L128 D129 I130	K118-E126 WeakPolarHBondContact CD-OE1 3.32Å; K118-E126 IonicContact NZ-OE1 2.65Å; K118-E126 PolarHBondContact NZ-OE1 3.31Å; V122-E126 HydrophobicContact CG2-CB 4Å; V122-E126 HydrophobicContact CG2-CG 4.03Å; S123-E126 PolarHBondContact O-N 2.61Å; S123-E126 WeakPolarHBondContact OG-CB 3.39Å; S123-E126 PolarHBondContact OG-N 3.44Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-D129 PolarHBondContact O-N 2.88Å; E126-I130 HydrophobicContact CG-CD1 4.26Å; E126-I130 WeakPolarHBondContact O-CD1 3.22Å; E126-I130 WeakPolarHBondContact O-CG1 3.4Å; E126-I130 PolarHBondContact O-N 3.06Å; E126-I130 VanDerWaalsContact O-N 3.09Å
127	L	98.5	Very high	98.2	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-38.4	174.6	-69.7	175.7	0	0	0	112.1	I87 V89 V122 S123 Q124 E125 I130 T131 V153 I158	I87-L127 HydrophobicContact CG2-CD2 4.02Å; V89-L127 HydrophobicContact CG2-CD1 4.19Å; V89-L127 HydrophobicContact CG2-CD2 3.8Å; V122-L127 HydrophobicContact CG1-CD1 3.94Å; V122-L127 HydrophobicContact CG1-CD2 4.06Å; V122-L127 HydrophobicContact CG1-CG 3.99Å; V122-L127 HydrophobicContact CG2-CD2 4.04Å; V122-L127 HydrophobicContact CG2-CG 3.99Å; S123-L127 PolarHBondContact O-N 3.19Å; Q124-L127 PolarHBondContact O-N 2.75Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.71Å; L127-I130 PolarHBondContact O-N 2.95Å; L127-T131 WeakPolarHBondContact O-CG2 3.34Å; L127-T131 PolarHBondContact O-N 3.28Å; L127-T131 PolarHBondContact O-OG1 3.37Å; L127-V153 HydrophobicContact CD1-CG1 3.84Å; L127-V153 HydrophobicContact CD1-CG2 4.15Å; L127-I158 HydrophobicContact CB-CD1 3.64Å; L127-I158 HydrophobicContact CD1-CD1 4.32Å; L127-I158 HydrophobicContact CD1-CG1 4.44Å
128	L	98.6	Very high	98.2	Very high	43 Å²	43	66.6 Å²	66.6	23%	0.225	34%	0.344	C	S	.	.	H	α-helix	trans	-66.2	-43.1	176	-72	170.4	0	0	0	111.6	Q124 E125 E126 I130 T131 D132 T157 I158	Q124-L128 HydrophobicContact CG-CD1 4.22Å; Q124-L128 WeakPolarHBondContact O-CG 3.46Å; Q124-L128 PolarHBondContact O-N 3.33Å; E125-L128 PolarHBondContact O-N 3.21Å; E125-L128 VanDerWaalsContact O-N 3.1Å; E126-L128 VanDerWaalsContact C-N 3.35Å; L128-I130 VanDerWaalsContact C-N 3.29Å; L128-I130 PolarHBondContact O-N 3.34Å; L128-T131 VanDerWaalsContact CA-OG1 3.29Å; L128-T131 WeakPolarHBondContact CA-OG1 2.92Å; L128-T131 PolarHBondContact O-N 2.9Å; L128-T131 VanDerWaalsContact O-N 3.09Å; L128-T131 PolarHBondContact O-OG1 3.13Å; L128-D132 PolarHBondContact O-N 2.95Å; L128-T157 HydrophobicContact CD1-CG2 4.28Å; L128-T157 HydrophobicContact CD2-CG2 4.45Å; L128-I158 HydrophobicContact CD2-CD1 3.9Å; L128-I158 HydrophobicContact CG-CD1 3.86Å
129	D	98.6	Very high	98.1	Very high	81 Å²	81	71.8 Å²	71.8	43%	0.433	36%	0.362	S	S	.	.	H	α-helix	trans	-59.2	-40.8	175.5	-73.5	-18.7	0	0	0	111.9	E125 E126 D132 Q133	E125-D129 PolarHBondContact O-N 3.01Å; E126-D129 PolarHBondContact O-N 2.88Å; D129-D132 PolarHBondContact O-N 2.7Å; D129-Q133 VanDerWaalsContact O-CG 3.27Å; D129-Q133 WeakPolarHBondContact O-CG 3.02Å; D129-Q133 PolarHBondContact O-N 3.21Å; D129-Q133 PolarHBondContact O-NE2 3.27Å
130	I	98.5	Very high	98.1	Very high	16 Å²	16	68.6 Å²	68.6	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-45.7	175.1	-66.2	159.8	0	0	0	110.1	I87 I116 K118 E126 L127 L128 D132 Q133 L134	I87-I130 HydrophobicContact CD1-CG2 3.76Å; I87-I130 HydrophobicContact CG1-CG2 4.17Å; I116-I130 HydrophobicContact CD1-CG2 3.92Å; I116-I130 HydrophobicContact CG2-CG2 4.39Å; K118-I130 HydrophobicContact CD-CD1 4.1Å; K118-I130 VanDerWaalsContact CE-CD1 3.42Å; K118-I130 HydrophobicContact CG-CD1 4.16Å; E126-I130 HydrophobicContact CG-CD1 4.26Å; E126-I130 WeakPolarHBondContact O-CD1 3.22Å; E126-I130 WeakPolarHBondContact O-CG1 3.4Å; E126-I130 PolarHBondContact O-N 3.06Å; E126-I130 VanDerWaalsContact O-N 3.09Å; L127-I130 PolarHBondContact O-N 2.95Å; L128-I130 VanDerWaalsContact C-N 3.29Å; L128-I130 PolarHBondContact O-N 3.34Å; I130-D132 VanDerWaalsContact C-N 3.3Å; I130-D132 PolarHBondContact O-N 3.01Å; I130-Q133 PolarHBondContact O-N 3.37Å; I130-L134 HydrophobicContact CG2-CD1 4.09Å; I130-L134 HydrophobicContact CG2-CG 4.49Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 2.68Å
131	T	98.1	Very high	98.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-39.7	177.5	52.3	0	0	0	0	111.8	I87 L127 L128 L134 N135 V145 I162	I87-T131 HydrophobicContact CD1-CG2 4Å; L127-T131 WeakPolarHBondContact O-CG2 3.34Å; L127-T131 PolarHBondContact O-N 3.28Å; L127-T131 PolarHBondContact O-OG1 3.37Å; L128-T131 VanDerWaalsContact CA-OG1 3.29Å; L128-T131 WeakPolarHBondContact CA-OG1 2.92Å; L128-T131 PolarHBondContact O-N 2.9Å; L128-T131 VanDerWaalsContact O-N 3.09Å; L128-T131 PolarHBondContact O-OG1 3.13Å; T131-L134 PolarHBondContact O-N 3.45Å; T131-N135 WeakPolarHBondContact O-CB 3.32Å; T131-N135 PolarHBondContact O-N 3.16Å; T131-N135 PolarHBondContact O-ND2 3.38Å; T131-N135 PolarHBondContact O-OD1 3.11Å; T131-V145 HydrophobicContact CG2-CG2 4.46Å; T131-I162 HydrophobicContact CG2-CG1 4.01Å
132	D	98.4	Very high	98.3	Very high	81 Å²	81	56.8 Å²	56.8	43%	0.433	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-42	178.1	-77.4	-16.2	0	0	0	112.4	L128 D129 I130 L134 N135 M136	L128-D132 PolarHBondContact O-N 2.95Å; D129-D132 PolarHBondContact O-N 2.7Å; I130-D132 VanDerWaalsContact C-N 3.3Å; I130-D132 PolarHBondContact O-N 3.01Å; D132-L134 VanDerWaalsContact C-N 3.35Å; D132-L134 PolarHBondContact O-N 2.98Å; D132-N135 WeakPolarHBondContact O-CB 3.45Å; D132-N135 PolarHBondContact O-N 3.35Å; D132-M136 WeakPolarHBondContact O-CG 3.42Å; D132-M136 PolarHBondContact O-N 3.48Å
133	Q	98.6	Very high	98.3	Very high	134 Å²	134	56.6 Å²	56.6	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-60	-45.1	173.7	-72	169.7	40	0	0	111.6	D129 I130 M136 D137	D129-Q133 VanDerWaalsContact O-CG 3.27Å; D129-Q133 WeakPolarHBondContact O-CG 3.02Å; D129-Q133 PolarHBondContact O-N 3.21Å; D129-Q133 PolarHBondContact O-NE2 3.27Å; I130-Q133 PolarHBondContact O-N 3.37Å; Q133-M136 PolarHBondContact O-N 3.19Å; Q133-D137 PolarHBondContact O-N 3.13Å; Q133-D137 VanDerWaalsContact O-N 3.09Å
134	L	98.7	Very high	98.2	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.063	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-34.3	178	-66.3	174.4	0	0	0	112.5	I87 I116 I130 T131 D132 M136 D137 V140 I143 K166	I87-L134 HydrophobicContact CD1-CD1 3.94Å; I87-L134 HydrophobicContact CG1-CD1 4.29Å; I116-L134 HydrophobicContact CD1-CD1 3.95Å; I116-L134 HydrophobicContact CD1-CD2 4.17Å; I116-L134 HydrophobicContact CD1-CG 4.43Å; I130-L134 HydrophobicContact CG2-CD1 4.09Å; I130-L134 HydrophobicContact CG2-CG 4.49Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 2.68Å; T131-L134 PolarHBondContact O-N 3.45Å; D132-L134 VanDerWaalsContact C-N 3.35Å; D132-L134 PolarHBondContact O-N 2.98Å; L134-M136 VanDerWaalsContact C-N 3.31Å; L134-M136 PolarHBondContact O-N 2.92Å; L134-D137 PolarHBondContact O-N 2.88Å; L134-V140 HydrophobicContact CD2-CG2 3.93Å; L134-I143 HydrophobicContact CB-CD1 3.48Å; L134-I143 VanDerWaalsContact CB-CD1 3.48Å; L134-I143 HydrophobicContact CB-CG1 3.92Å; L134-I143 HydrophobicContact CD1-CG1 4.32Å; L134-I143 HydrophobicContact CD1-CG2 4.06Å; L134-K166 PolarHBondContact O-NZ 2.84Å
135	N	98.6	Very high	98.2	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-42.3	174	-72.2	-26.5	0	0	0	110.8	T131 D132 I143 G161 A163 K166	T131-N135 WeakPolarHBondContact O-CB 3.32Å; T131-N135 PolarHBondContact O-N 3.16Å; T131-N135 PolarHBondContact O-ND2 3.38Å; T131-N135 PolarHBondContact O-OD1 3.11Å; D132-N135 WeakPolarHBondContact O-CB 3.45Å; D132-N135 PolarHBondContact O-N 3.35Å; N135-I143 VanDerWaalsContact OD1-CD1 3.29Å; N135-I143 WeakPolarHBondContact OD1-CD1 3.31Å; N135-G161 PolarHBondContact ND2-O 3.33Å; N135-A163 HydrophobicContact CB-CB 4.25Å; N135-A163 VanDerWaalsContact OD1-CB 3.3Å; N135-A163 WeakPolarHBondContact OD1-CB 3.46Å; N135-A163 PolarHBondContact OD1-N 3.39Å; N135-K166 WeakPolarHBondContact O-CE 3.49Å; N135-K166 PolarHBondContact O-NZ 2.95Å
136	M	98.3	Very high	98.1	Very high	155 Å²	155	45.9 Å²	45.9	76%	0.764	23%	0.23	S	C	*	.	H	α-helix	trans	-79.8	-16.3	-179.2	-64	-60	136.7	0	0	113.9	D132 Q133 L134 P138	D132-M136 WeakPolarHBondContact O-CG 3.42Å; D132-M136 PolarHBondContact O-N 3.48Å; Q133-M136 PolarHBondContact O-N 3.19Å; L134-M136 VanDerWaalsContact C-N 3.31Å; L134-M136 PolarHBondContact O-N 2.92Å; M136-P138 WeakPolarHBondContact O-CD 3.36Å
137	D	98.3	Very high	97.8	Very high	28 Å²	28	43.9 Å²	43.9	15%	0.15	22%	0.222	C	C	.	.			trans	-76.5	112.2	179.4	-169.7	-17	0	0	0	111.7	Q133 L134 R139 V140 K166	Q133-D137 PolarHBondContact O-N 3.13Å; Q133-D137 VanDerWaalsContact O-N 3.09Å; L134-D137 PolarHBondContact O-N 2.88Å; D137-R139 PolarHBondContact O-N 3.49Å; D137-R139 VanDerWaalsContact O-N 3.11Å; D137-R139 WeakPolarHBondContact OD1-CA 3.36Å; D137-R139 WeakPolarHBondContact OD1-CB 3.43Å; D137-R139 VanDerWaalsContact OD1-CG 3.25Å; D137-R139 WeakPolarHBondContact OD1-CG 3.37Å; D137-R139 IonicContact OD1-CZ 3.97Å; D137-R139 PolarHBondContact OD1-N 2.82Å; D137-R139 IonicContact OD1-NE 3.3Å; D137-R139 PolarHBondContact OD1-NE 3.4Å; D137-R139 IonicContact OD1-NH2 3.3Å; D137-R139 IonicContact OD2-CZ 2.76Å; D137-R139 VanDerWaalsContact OD2-CZ 3.24Å; D137-R139 IonicContact OD2-NE 3.85Å; D137-R139 PolarHBondContact OD2-NE 2.99Å; D137-R139 IonicContact OD2-NH2 3.04Å; D137-R139 PolarHBondContact OD2-NH2 2.99Å; D137-V140 HydrophobicContact CB-CB 4.38Å; D137-V140 HydrophobicContact CB-CG2 3.86Å; D137-V140 PolarHBondContact O-N 2.84Å; D137-V140 VanDerWaalsContact O-N 3.12Å; D137-K166 PolarHBondContact O-NZ 3.39Å
138	P	96.5	Very high	97.6	Very high	109 Å²	109	47.7 Å²	47.7	71%	0.708	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.8	179.2	31.8	-37.8	0	0	0	113.3	M136	M136-P138 WeakPolarHBondContact O-CD 3.36Å
139	R	96.7	Very high	97.4	Very high	160 Å²	160	46.2 Å²	46.2	60%	0.604	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-26.9	173.5	-55.9	172.6	-63.8	174.9	5.1	111.7	H83 D137	H83-R139 WeakPolarHBondContact CB-O 3.45Å; D137-R139 PolarHBondContact O-N 3.49Å; D137-R139 VanDerWaalsContact O-N 3.11Å; D137-R139 WeakPolarHBondContact OD1-CA 3.36Å; D137-R139 WeakPolarHBondContact OD1-CB 3.43Å; D137-R139 VanDerWaalsContact OD1-CG 3.25Å; D137-R139 WeakPolarHBondContact OD1-CG 3.37Å; D137-R139 IonicContact OD1-CZ 3.97Å; D137-R139 PolarHBondContact OD1-N 2.82Å; D137-R139 IonicContact OD1-NE 3.3Å; D137-R139 PolarHBondContact OD1-NE 3.4Å; D137-R139 IonicContact OD1-NH2 3.3Å; D137-R139 IonicContact OD2-CZ 2.76Å; D137-R139 VanDerWaalsContact OD2-CZ 3.24Å; D137-R139 IonicContact OD2-NE 3.85Å; D137-R139 PolarHBondContact OD2-NE 2.99Å; D137-R139 IonicContact OD2-NH2 3.04Å; D137-R139 PolarHBondContact OD2-NH2 2.99Å
140	V	98.4	Very high	97.2	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.024	23%	0.227	C	C	.	.			trans	-83.9	120	-177.4	178.9	0	0	0	0	109.5	L134 D137 I143 K166	L134-V140 HydrophobicContact CD2-CG2 3.93Å; D137-V140 HydrophobicContact CB-CB 4.38Å; D137-V140 HydrophobicContact CB-CG2 3.86Å; D137-V140 PolarHBondContact O-N 2.84Å; D137-V140 VanDerWaalsContact O-N 3.12Å; V140-I143 HydrophobicContact CG1-CD1 4.38Å; V140-I143 HydrophobicContact CG1-CG1 3.71Å; V140-K166 HydrophobicContact CG1-CD 4.39Å; V140-K166 WeakPolarHBondContact O-CE 3.49Å; V140-K166 PolarHBondContact O-NZ 3.37Å
141	S	98.3	Very high	97.1	Very high	19 Å²	19	51.3 Å²	51.3	13%	0.133	27%	0.268	C	S	.	.			trans	-93.5	-34.3	177.9	-46.5	0	0	0	0	112.3	P82 H83 A341	P82-S141 WeakPolarHBondContact CA-OG 3.44Å; H83-S141 PolarHBondContact N-OG 2.85Å; H83-S141 WeakPolarHBondContact O-CA 3.31Å; H83-S141 WeakPolarHBondContact O-CB 3.4Å; H83-S141 PolarHBondContact O-N 3.32Å; S141-A341 VanDerWaalsContact O-CB 3.28Å; S141-A341 WeakPolarHBondContact O-CB 3.42Å
142	G	98.6	Very high	97	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.6	-176.6	0	0	0	0	0	112	H83 L84 S85 K166	H83-G142 PolarHBondContact O-N 3.07Å; L84-G142 WeakPolarHBondContact CA-O 3.49Å; S85-G142 PolarHBondContact N-O 3.07Å; G142-K166 CarbonylContact C-O 3.55Å; G142-K166 WeakPolarHBondContact CA-O 3.48Å
143	I	98.8	Very high	97	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.2	179.2	-58	164.8	0	0	0	108.1	S85 I87 L134 N135 V140 I162 K166 V168	S85-I143 WeakPolarHBondContact O-CA 3.33Å; I87-I143 HydrophobicContact CD1-CG2 4.45Å; L134-I143 HydrophobicContact CB-CD1 3.48Å; L134-I143 VanDerWaalsContact CB-CD1 3.48Å; L134-I143 HydrophobicContact CB-CG1 3.92Å; L134-I143 HydrophobicContact CD1-CG1 4.32Å; L134-I143 HydrophobicContact CD1-CG2 4.06Å; N135-I143 VanDerWaalsContact OD1-CD1 3.29Å; N135-I143 WeakPolarHBondContact OD1-CD1 3.31Å; V140-I143 HydrophobicContact CG1-CD1 4.38Å; V140-I143 HydrophobicContact CG1-CG1 3.71Å; I143-I162 HydrophobicContact CB-CG2 3.81Å; I143-I162 HydrophobicContact CD1-CG2 4.14Å; I143-I162 HydrophobicContact CG2-CD1 3.96Å; I143-I162 HydrophobicContact CG2-CG1 4.04Å; I143-I162 HydrophobicContact CG2-CG2 4.2Å; I143-K166 HydrophobicContact CD1-CB 4.02Å; I143-K166 HydrophobicContact CD1-CD 3.94Å; I143-K166 HydrophobicContact CG1-CB 4.18Å; I143-K166 HydrophobicContact CG1-CD 4.42Å; I143-K166 PolarHBondContact N-O 3.09Å; I143-V168 WeakPolarHBondContact O-CG2 3.47Å
144	L	97.1	Very high	96.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.8	176.5	162.4	69	0	0	0	108.7	L84 S85 I86 I87 K102 D169 L334	L84-L144 HydrophobicContact CD1-CB 4.32Å; S85-L144 PolarHBondContact O-N 2.8Å; I86-L144 CarbonylContact C-O 3.57Å; I86-L144 WeakPolarHBondContact CA-O 3.35Å; I86-L144 HydrophobicContact CB-CD2 4.43Å; I86-L144 HydrophobicContact CD1-CD2 4.22Å; I86-L144 HydrophobicContact CG1-CD2 4.1Å; I86-L144 HydrophobicContact CG2-CD2 3.72Å; I86-L144 HydrophobicContact CG2-CG 4.1Å; I87-L144 PolarHBondContact N-O 3.47Å; K102-L144 HydrophobicContact CD-CD2 3.56Å; L144-D169 HydrophobicContact CD1-CB 4.15Å; L144-D169 WeakPolarHBondContact CD1-OD2 3.45Å; L144-L334 HydrophobicContact CD2-CD2 3.95Å
145	V	97.3	Very high	96.8	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.9	164.8	177.3	0	0	0	0	108.2	I87 T131 L147 L149 I158 I162	I87-V145 HydrophobicContact CB-CG2 4.09Å; I87-V145 HydrophobicContact CD1-CG2 3.78Å; I87-V145 HydrophobicContact CG1-CG2 4.45Å; T131-V145 HydrophobicContact CG2-CG2 4.46Å; V145-L147 PolarHBondContact O-N 3.35Å; V145-L149 HydrophobicContact CG1-CD1 4.03Å; V145-L149 HydrophobicContact CG1-CD2 3.78Å; V145-L149 HydrophobicContact CG1-CG 4.24Å; V145-I158 HydrophobicContact CB-CG2 4.21Å; V145-I158 HydrophobicContact CG1-CG2 3.98Å; V145-I158 HydrophobicContact CG2-CG2 3.76Å; V145-I162 HydrophobicContact CG2-CD1 3.97Å
146	Q	96.1	Very high	96.6	Very high	23 Å²	23	56 Å²	56	11%	0.107	29%	0.285	C	S	.	.			trans	-72.5	115.2	-177.8	-179.1	61.2	54.7	0	0	110.7	I87 L88 V99	I87-Q146 PolarHBondContact O-N 2.96Å; L88-Q146 HydrophobicContact CD1-CB 4Å; L88-Q146 HydrophobicContact CD1-CG 3.89Å; V99-Q146 HydrophobicContact CG2-CB 3.94Å; V99-Q146 HydrophobicContact CG2-CG 3.73Å
147	L	93.6	Very high	96.6	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.141	26%	0.264	C	S	.	.	S	Bend	trans	-87.2	158	175.5	-58.9	-174.9	0	0	0	112.4	V145 L149 E155 F171 N218	V145-L147 PolarHBondContact O-N 3.35Å; L147-L149 HydrophobicContact CD2-CD1 4.19Å; L147-L149 HydrophobicContact CD2-CG 3.82Å; L147-E155 HydrophobicContact CD2-CB 4.31Å; L147-E155 HydrophobicContact CD2-CG 3.95Å; L147-F171 HydrophobicContact CD1-CD2 4.24Å; L147-F171 HydrophobicContact CD1-CE2 4.02Å; L147-N218 VanDerWaalsContact CD1-ND2 3.31Å; L147-N218 WeakPolarHBondContact CD1-ND2 3.42Å
148	P	92.8	Very high	96.6	Very high	82 Å²	82	49.8 Å²	49.8	53%	0.532	26%	0.257	S	S	.	.	P	Polyproline II helix	cis	-74.9	154.4	-4.5	32.5	-35.5	0	0	0	113	E155	P148-E155 WeakPolarHBondContact CA-OE1 3.38Å; P148-E155 WeakPolarHBondContact CB-OE1 3.49Å
149	L	94.8	Very high	96.6	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.063	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-89.1	164.1	169.9	-66.7	176.5	0	0	0	111.2	V89 V145 L147 V153 E155 I158	V89-L149 HydrophobicContact CB-CD2 3.92Å; V89-L149 HydrophobicContact CG2-CD2 3.68Å; V145-L149 HydrophobicContact CG1-CD1 4.03Å; V145-L149 HydrophobicContact CG1-CD2 3.78Å; V145-L149 HydrophobicContact CG1-CG 4.24Å; L147-L149 HydrophobicContact CD2-CD1 4.19Å; L147-L149 HydrophobicContact CD2-CG 3.82Å; L149-V153 HydrophobicContact CB-CB 4.31Å; L149-V153 HydrophobicContact CB-CG1 4.44Å; L149-V153 HydrophobicContact CD1-CG1 3.75Å; L149-E155 HydrophobicContact CB-CG 3.93Å; L149-E155 HydrophobicContact CD1-CG 4.16Å; L149-E155 HydrophobicContact CG-CG 4.19Å; L149-E155 PolarHBondContact N-OE1 2.98Å; L149-I158 HydrophobicContact CD1-CB 4.09Å; L149-I158 HydrophobicContact CD1-CG1 3.92Å; L149-I158 HydrophobicContact CD1-CG2 4.2Å
150	P	95.6	Very high	96.6	Very high	29 Å²	29	39.9 Å²	39.9	19%	0.188	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-57	148.1	170.3	-24.9	35.3	0	0	0	112.7	V89 K120 H152 V153	V89-P150 HydrophobicContact CG1-CG 3.59Å; K120-P150 VanDerWaalsContact O-CG 3.27Å; K120-P150 WeakPolarHBondContact O-CG 3.35Å; P150-H152 VanDerWaalsContact CB-CE1 3.42Å; P150-H152 WeakPolarHBondContact CB-CE1 3.31Å; P150-H152 PolarHBondContact O-N 3.17Å; P150-V153 PolarHBondContact O-N 3.19Å
151	D	95.6	Very high	96.6	Very high	174 Å²	174	40.5 Å²	40.5	93%	0.93	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.6	-172.9	-64.6	-26.2	0	0	0	114.7	V153	D151-V153 VanDerWaalsContact C-N 3.28Å
152	H	96.8	Very high	96.6	Very high	106 Å²	106	39.9 Å²	39.9	49%	0.491	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.7	178	68.8	-85.2	0	0	0	113.8	K120 V122 P150	K120-H152 PolarHBondContact O-CE1 3.45Å; K120-H152 VanDerWaalsContact O-CE1 3.24Å; V122-H152 PolarHBondContact O-NE2 2.59Å; P150-H152 VanDerWaalsContact CB-CE1 3.42Å; P150-H152 WeakPolarHBondContact CB-CE1 3.31Å; P150-H152 PolarHBondContact O-N 3.17Å
153	V	97.6	Very high	96.6	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.048	22%	0.219	C	C	.	.	S	Bend	trans	-108.4	127.3	177	-179.3	0	0	0	0	109.5	Q124 L127 L149 P150 D151 E155 I158	Q124-V153 HydrophobicContact CB-CG1 4.41Å; Q124-V153 HydrophobicContact CG-CG1 4.34Å; L127-V153 HydrophobicContact CD1-CG1 3.84Å; L127-V153 HydrophobicContact CD1-CG2 4.15Å; L149-V153 HydrophobicContact CB-CB 4.31Å; L149-V153 HydrophobicContact CB-CG1 4.44Å; L149-V153 HydrophobicContact CD1-CG1 3.75Å; P150-V153 PolarHBondContact O-N 3.19Å; D151-V153 VanDerWaalsContact C-N 3.28Å; V153-E155 PolarHBondContact O-N 2.81Å; V153-I158 HydrophobicContact CG1-CD1 4.16Å; V153-I158 HydrophobicContact CG1-CG1 3.56Å
154	D	97.5	Very high	96.6	Very high	81 Å²	81	41.6 Å²	41.6	43%	0.433	23%	0.225	S	C	.	.			trans	-78	103.6	174.7	-175.4	-85.7	0	0	0	110.6	R156 T157 I158	D154-R156 PolarHBondContact O-N 3.4Å; D154-R156 VanDerWaalsContact O-N 3.16Å; D154-R156 WeakPolarHBondContact OD1-CB 3.36Å; D154-R156 PolarHBondContact OD1-N 3.1Å; D154-T157 WeakPolarHBondContact O-CB 3.3Å; D154-T157 PolarHBondContact O-N 3.13Å; D154-T157 VanDerWaalsContact O-N 3.13Å; D154-T157 VanDerWaalsContact OD1-CB 3.32Å; D154-T157 WeakPolarHBondContact OD1-CB 3.26Å; D154-T157 PolarHBondContact OD1-N 3.42Å; D154-T157 PolarHBondContact OD1-OG1 3.3Å; D154-I158 PolarHBondContact O-N 3.09Å; D154-I158 VanDerWaalsContact O-N 3.13Å
155	E	95.3	Very high	96.6	Very high	66 Å²	66	45.5 Å²	45.5	31%	0.308	24%	0.244	S	C	.	.	H	α-helix	trans	-53.7	-36.4	-179.6	-67.4	-173.1	164.9	0	0	113.1	L147 P148 L149 V153 I158 C159	L147-E155 HydrophobicContact CD2-CB 4.31Å; L147-E155 HydrophobicContact CD2-CG 3.95Å; P148-E155 WeakPolarHBondContact CA-OE1 3.38Å; P148-E155 WeakPolarHBondContact CB-OE1 3.49Å; L149-E155 HydrophobicContact CB-CG 3.93Å; L149-E155 HydrophobicContact CD1-CG 4.16Å; L149-E155 HydrophobicContact CG-CG 4.19Å; L149-E155 PolarHBondContact N-OE1 2.98Å; V153-E155 PolarHBondContact O-N 2.81Å; E155-I158 PolarHBondContact O-N 3.29Å; E155-C159 WeakPolarHBondContact O-CB 3.38Å; E155-C159 PolarHBondContact O-N 3.26Å; E155-C159 PolarHBondContact O-SG 3.44Å
156	R	94.8	Very high	96.7	Very high	86 Å²	86	46.2 Å²	46.2	33%	0.325	25%	0.246	S	C	.	.	H	α-helix	trans	-69.3	-39.6	-177.4	178.6	53.8	54	-171	-7	111	D154 C159 N160 F171	D154-R156 PolarHBondContact O-N 3.4Å; D154-R156 VanDerWaalsContact O-N 3.16Å; D154-R156 WeakPolarHBondContact OD1-CB 3.36Å; D154-R156 PolarHBondContact OD1-N 3.1Å; R156-C159 PolarHBondContact O-N 2.92Å; R156-N160 WeakPolarHBondContact O-CB 3.43Å; R156-N160 VanDerWaalsContact O-CG 3.29Å; R156-N160 PolarHBondContact O-N 3.05Å; R156-N160 PolarHBondContact O-ND2 3.24Å; R156-F171 PolarHBondContact NH1-O 2.96Å
157	T	97.8	Very high	96.8	Very high	54 Å²	54	45.2 Å²	45.2	33%	0.331	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-46.5	176.2	-59	0	0	0	0	109.7	L128 D154 N160 G161	L128-T157 HydrophobicContact CD1-CG2 4.28Å; L128-T157 HydrophobicContact CD2-CG2 4.45Å; D154-T157 WeakPolarHBondContact O-CB 3.3Å; D154-T157 PolarHBondContact O-N 3.13Å; D154-T157 VanDerWaalsContact O-N 3.13Å; D154-T157 VanDerWaalsContact OD1-CB 3.32Å; D154-T157 WeakPolarHBondContact OD1-CB 3.26Å; D154-T157 PolarHBondContact OD1-N 3.42Å; D154-T157 PolarHBondContact OD1-OG1 3.3Å; T157-N160 CarbonylContact O-C 3.59Å; T157-N160 PolarHBondContact O-N 2.84Å; T157-G161 PolarHBondContact O-N 3.46Å
158	I	98	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-46.2	175.8	-60.6	-54.3	0	0	0	111.9	Q124 L127 L128 V145 L149 V153 D154 E155 N160 G161	Q124-I158 HydrophobicContact CG-CD1 3.93Å; L127-I158 HydrophobicContact CB-CD1 3.64Å; L127-I158 HydrophobicContact CD1-CD1 4.32Å; L127-I158 HydrophobicContact CD1-CG1 4.44Å; L128-I158 HydrophobicContact CD2-CD1 3.9Å; L128-I158 HydrophobicContact CG-CD1 3.86Å; V145-I158 HydrophobicContact CB-CG2 4.21Å; V145-I158 HydrophobicContact CG1-CG2 3.98Å; V145-I158 HydrophobicContact CG2-CG2 3.76Å; L149-I158 HydrophobicContact CD1-CB 4.09Å; L149-I158 HydrophobicContact CD1-CG1 3.92Å; L149-I158 HydrophobicContact CD1-CG2 4.2Å; V153-I158 HydrophobicContact CG1-CD1 4.16Å; V153-I158 HydrophobicContact CG1-CG1 3.56Å; D154-I158 PolarHBondContact O-N 3.09Å; D154-I158 VanDerWaalsContact O-N 3.13Å; E155-I158 PolarHBondContact O-N 3.29Å; I158-N160 VanDerWaalsContact C-N 3.26Å; I158-N160 PolarHBondContact O-N 3.34Å; I158-G161 PolarHBondContact O-N 2.81Å
159	C	96.6	Very high	97.2	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-35.1	177.4	-67	0	0	0	0	112.5	E155 R156 G161 F171	E155-C159 WeakPolarHBondContact O-CB 3.38Å; E155-C159 PolarHBondContact O-N 3.26Å; E155-C159 PolarHBondContact O-SG 3.44Å; R156-C159 PolarHBondContact O-N 2.92Å; C159-G161 VanDerWaalsContact C-N 3.33Å; C159-F171 HydrophobicContact CB-CB 3.97Å
160	N	97.8	Very high	97.3	Very high	54 Å²	54	40.2 Å²	40.2	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-81	-11	177.1	-72.5	-18.5	0	0	0	113.4	R156 T157 I158 I162 H172 I173	R156-N160 WeakPolarHBondContact O-CB 3.43Å; R156-N160 VanDerWaalsContact O-CG 3.29Å; R156-N160 PolarHBondContact O-N 3.05Å; R156-N160 PolarHBondContact O-ND2 3.24Å; T157-N160 CarbonylContact O-C 3.59Å; T157-N160 PolarHBondContact O-N 2.84Å; I158-N160 VanDerWaalsContact C-N 3.26Å; I158-N160 PolarHBondContact O-N 3.34Å; N160-I162 VanDerWaalsContact C-N 3.34Å; N160-H172 PolarHBondContact O-CD2 2.7Å; N160-H172 PolarHBondContact O-NE2 3.08Å; N160-I173 WeakPolarHBondContact OD1-CB 3.16Å; N160-I173 PolarHBondContact OD1-N 3.14Å
161	G	98	Very high	97.4	Very high	18 Å²	18	39.8 Å²	39.8	19%	0.186	21%	0.206	C	C	.	.	H	α-helix	trans	-79.4	-16.5	171.6	0	0	0	0	0	113.2	N135 T157 I158 C159	N135-G161 PolarHBondContact ND2-O 3.33Å; T157-G161 PolarHBondContact O-N 3.46Å; I158-G161 PolarHBondContact O-N 2.81Å; C159-G161 VanDerWaalsContact C-N 3.33Å
162	I	98.6	Very high	97.5	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.166	C	C	.	.	S	Bend	trans	-80.1	130.7	177.2	-59.7	171.1	0	0	0	109.6	T131 I143 V145 N160 D167 H172	T131-I162 HydrophobicContact CG2-CG1 4.01Å; I143-I162 HydrophobicContact CB-CG2 3.81Å; I143-I162 HydrophobicContact CD1-CG2 4.14Å; I143-I162 HydrophobicContact CG2-CD1 3.96Å; I143-I162 HydrophobicContact CG2-CG1 4.04Å; I143-I162 HydrophobicContact CG2-CG2 4.2Å; V145-I162 HydrophobicContact CG2-CD1 3.97Å; N160-I162 VanDerWaalsContact C-N 3.34Å; I162-D167 HydrophobicContact CG2-CB 3.91Å; I162-H172 PolarHBondContact O-CD2 3.04Å
163	A	98.5	Very high	97.6	Very high	15 Å²	15	32.3 Å²	32.3	12%	0.124	17%	0.168	C	C	.	.			trans	-54.4	130.6	175.8	0	0	0	0	0	110.6	N135 E165 K166 D167	N135-A163 HydrophobicContact CB-CB 4.25Å; N135-A163 VanDerWaalsContact OD1-CB 3.3Å; N135-A163 WeakPolarHBondContact OD1-CB 3.46Å; N135-A163 PolarHBondContact OD1-N 3.39Å; A163-E165 PolarHBondContact O-N 2.86Å; A163-E165 VanDerWaalsContact O-N 3.1Å; A163-K166 HydrophobicContact CB-CB 4.47Å; A163-K166 HydrophobicContact CB-CG 4.44Å; A163-K166 CarbonylContact O-C 3.54Å; A163-K166 WeakPolarHBondContact O-CA 3.12Å; A163-K166 PolarHBondContact O-N 3.43Å; A163-D167 PolarHBondContact O-N 2.96Å
164	P	98.4	Very high	97.6	Very high	20 Å²	20	35.9 Å²	35.9	13%	0.13	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-36.8	-174	-24.2	29.3	0	0	0	114.2	K166 D167 I174 N175 Y347	P164-K166 VanDerWaalsContact C-N 3.29Å; P164-K166 PolarHBondContact O-N 3.3Å; P164-D167 PolarHBondContact O-N 3.29Å; P164-I174 HydrophobicContact CB-CB 4.21Å; P164-I174 HydrophobicContact CB-CG2 4.23Å; P164-I174 HydrophobicContact CG-CB 4.15Å; P164-I174 HydrophobicContact CG-CD1 3.68Å; P164-I174 HydrophobicContact CG-CG1 4.41Å; P164-I174 HydrophobicContact CG-CG2 4.45Å; P164-N175 PolarHBondContact O-ND2 3.44Å; P164-Y347 HydrophobicContact CB-CE1 3.85Å; P164-Y347 HydrophobicContact CB-CE2 4.47Å; P164-Y347 VanDerWaalsContact CB-OH 3.26Å; P164-Y347 WeakPolarHBondContact CB-OH 3.39Å
165	E	98.3	Very high	97.7	Very high	82 Å²	82	32 Å²	32	38%	0.383	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.3	179	65	-87.6	-157	0	0	113.8	A163 A341 Y347	A163-E165 PolarHBondContact O-N 2.86Å; A163-E165 VanDerWaalsContact O-N 3.1Å; E165-A341 WeakPolarHBondContact O-CB 3.47Å; E165-Y347 HydrophobicContact CB-CD1 4.22Å; E165-Y347 HydrophobicContact CB-CD2 3.68Å; E165-Y347 HydrophobicContact CB-CE2 4.32Å; E165-Y347 HydrophobicContact CB-CG 3.62Å
166	K	98.7	Very high	97.8	Very high	21 Å²	21	30 Å²	30	9%	0.091	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.6	175.1	-58.4	-167.5	-174.6	-178.5	0	113.2	L134 N135 D137 V140 G142 I143 A163 P164 V168	L134-K166 PolarHBondContact O-NZ 2.84Å; N135-K166 WeakPolarHBondContact O-CE 3.49Å; N135-K166 PolarHBondContact O-NZ 2.95Å; D137-K166 PolarHBondContact O-NZ 3.39Å; V140-K166 HydrophobicContact CG1-CD 4.39Å; V140-K166 WeakPolarHBondContact O-CE 3.49Å; V140-K166 PolarHBondContact O-NZ 3.37Å; G142-K166 CarbonylContact C-O 3.55Å; G142-K166 WeakPolarHBondContact CA-O 3.48Å; I143-K166 HydrophobicContact CD1-CB 4.02Å; I143-K166 HydrophobicContact CD1-CD 3.94Å; I143-K166 HydrophobicContact CG1-CB 4.18Å; I143-K166 HydrophobicContact CG1-CD 4.42Å; I143-K166 PolarHBondContact N-O 3.09Å; A163-K166 HydrophobicContact CB-CB 4.47Å; A163-K166 HydrophobicContact CB-CG 4.44Å; A163-K166 CarbonylContact O-C 3.54Å; A163-K166 WeakPolarHBondContact O-CA 3.12Å; A163-K166 PolarHBondContact O-N 3.43Å; P164-K166 VanDerWaalsContact C-N 3.29Å; P164-K166 PolarHBondContact O-N 3.3Å; K166-V168 VanDerWaalsContact C-N 3.29Å; K166-V168 PolarHBondContact O-N 3.4Å
167	D	98.4	Very high	98	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.011	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-75.2	76.5	179.2	167.6	41	0	0	0	111.5	I162 A163 P164 D169 G170 F171 H172 N175 L186	I162-D167 HydrophobicContact CG2-CB 3.91Å; A163-D167 PolarHBondContact O-N 2.96Å; P164-D167 PolarHBondContact O-N 3.29Å; D167-D169 PolarHBondContact O-N 2.88Å; D167-G170 PolarHBondContact O-N 2.83Å; D167-G170 PolarHBondContact OD1-N 2.99Å; D167-G170 WeakPolarHBondContact OD2-CA 3.43Å; D167-G170 PolarHBondContact OD2-N 3.35Å; D167-F171 PolarHBondContact OD1-N 2.86Å; D167-F171 VanDerWaalsContact OD1-N 3.07Å; D167-F171 PolarHBondContact OD2-N 3.15Å; D167-H172 HydrophobicContact CB-CB 3.98Å; D167-H172 WeakPolarHBondContact OD2-CA 3.29Å; D167-H172 WeakPolarHBondContact OD2-CB 3.37Å; D167-H172 PolarHBondContact OD2-N 2.78Å; D167-N175 PolarHBondContact OD2-ND2 2.86Å; D167-L186 WeakPolarHBondContact O-CB 3.49Å; D167-L186 VanDerWaalsContact O-CD1 3.24Å; D167-L186 WeakPolarHBondContact O-CD1 3.37Å
168	V	98.3	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.1	-176.5	-67.2	0	0	0	0	113.7	L84 I143 K166 L334 N337 A341	L84-V168 HydrophobicContact CD1-CG2 3.75Å; I143-V168 WeakPolarHBondContact O-CG2 3.47Å; K166-V168 VanDerWaalsContact C-N 3.29Å; K166-V168 PolarHBondContact O-N 3.4Å; V168-L334 HydrophobicContact CB-CD1 4Å; V168-L334 HydrophobicContact CG2-CD1 3.58Å; V168-N337 HydrophobicContact CB-CB 4.05Å; V168-N337 HydrophobicContact CG1-CB 4.38Å; V168-N337 WeakPolarHBondContact O-CB 3.39Å; V168-N337 PolarHBondContact O-ND2 3.42Å; V168-A341 HydrophobicContact CG1-CB 4.1Å
169	D	95.6	Very high	98	Very high	17 Å²	17	27.7 Å²	27.7	9%	0.091	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-10	170.7	-113.1	12.1	0	0	0	112.4	L144 D167 F171 P188	L144-D169 HydrophobicContact CD1-CB 4.15Å; L144-D169 WeakPolarHBondContact CD1-OD2 3.45Å; D167-D169 PolarHBondContact O-N 2.88Å; D169-F171 VanDerWaalsContact C-N 3.33Å; D169-F171 HydrophobicContact CB-CD2 3.83Å; D169-F171 HydrophobicContact CB-CE1 4.48Å; D169-F171 HydrophobicContact CB-CE2 3.69Å; D169-F171 HydrophobicContact CB-CG 4.28Å; D169-F171 HydrophobicContact CB-CZ 4.03Å; D169-F171 WeakPolarHBondContact O-CD1 3.22Å; D169-F171 WeakPolarHBondContact O-CE1 3.33Å; D169-F171 PolarHBondContact O-N 2.94Å; D169-F171 WeakPolarHBondContact OD2-CE2 3.34Å; D169-P188 VanDerWaalsContact O-CA 3.27Å; D169-P188 WeakPolarHBondContact O-CA 3.39Å
170	G	97.3	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.			trans	68.7	26.1	173.2	0	0	0	0	0	114.3	D167 I176 L186 P188	D167-G170 PolarHBondContact O-N 2.83Å; D167-G170 PolarHBondContact OD1-N 2.99Å; D167-G170 WeakPolarHBondContact OD2-CA 3.43Å; D167-G170 PolarHBondContact OD2-N 3.35Å; G170-I176 WeakPolarHBondContact O-CD1 3.18Å; G170-I176 WeakPolarHBondContact O-CG1 3.41Å; G170-L186 WeakPolarHBondContact CA-O 3.47Å; G170-P188 WeakPolarHBondContact O-CG 3.24Å
171	F	97.6	Very high	98.1	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.088	18%	0.184	C	C	.	.			trans	-95.1	-15.7	-175.5	-61	-24.1	0	0	0	114.2	L147 R156 C159 D167 D169 P188 N218	L147-F171 HydrophobicContact CD1-CD2 4.24Å; L147-F171 HydrophobicContact CD1-CE2 4.02Å; R156-F171 PolarHBondContact NH1-O 2.96Å; C159-F171 HydrophobicContact CB-CB 3.97Å; D167-F171 PolarHBondContact OD1-N 2.86Å; D167-F171 VanDerWaalsContact OD1-N 3.07Å; D167-F171 PolarHBondContact OD2-N 3.15Å; D169-F171 VanDerWaalsContact C-N 3.33Å; D169-F171 HydrophobicContact CB-CD2 3.83Å; D169-F171 HydrophobicContact CB-CE1 4.48Å; D169-F171 HydrophobicContact CB-CE2 3.69Å; D169-F171 HydrophobicContact CB-CG 4.28Å; D169-F171 HydrophobicContact CB-CZ 4.03Å; D169-F171 WeakPolarHBondContact O-CD1 3.22Å; D169-F171 WeakPolarHBondContact O-CE1 3.33Å; D169-F171 PolarHBondContact O-N 2.94Å; D169-F171 WeakPolarHBondContact OD2-CE2 3.34Å; F171-P188 HydrophobicContact CD1-CG 4.3Å; F171-P188 HydrophobicContact CE1-CB 4.07Å; F171-P188 HydrophobicContact CE1-CG 4.32Å; F171-N218 HydrophobicContact CD1-CB 4.08Å; F171-N218 HydrophobicContact CE1-CB 3.44Å; F171-N218 VanDerWaalsContact CE1-CB 3.44Å; F171-N218 HydrophobicContact CE2-CB 4.46Å; F171-N218 HydrophobicContact CZ-CB 3.68Å
172	H	98.3	Very high	98.1	Very high	17 Å²	17	33.2 Å²	33.2	8%	0.079	18%	0.179	C	C	.	.	S	Bend	trans	-58.9	139	176.9	-172	-80.7	0	0	0	110	N160 I162 D167 I174 N175 I176	N160-H172 PolarHBondContact O-CD2 2.7Å; N160-H172 PolarHBondContact O-NE2 3.08Å; I162-H172 PolarHBondContact O-CD2 3.04Å; D167-H172 HydrophobicContact CB-CB 3.98Å; D167-H172 WeakPolarHBondContact OD2-CA 3.29Å; D167-H172 WeakPolarHBondContact OD2-CB 3.37Å; D167-H172 PolarHBondContact OD2-N 2.78Å; H172-I174 WeakPolarHBondContact ND1-CB 3.44Å; H172-I174 PolarHBondContact ND1-N 3.07Å; H172-I174 PolarHBondContact O-N 3.08Å; H172-I174 VanDerWaalsContact O-N 3.1Å; H172-N175 PolarHBondContact O-N 3.3Å; H172-I176 PolarHBondContact O-N 3.37Å
173	I	97.6	Very high	98.1	Very high	106 Å²	106	36 Å²	36	54%	0.544	19%	0.192	S	C	.	.	H	α-helix	trans	-55	-33.9	-176	-169.9	167.8	0	0	0	113.4	N160 G177	N160-I173 WeakPolarHBondContact OD1-CB 3.16Å; N160-I173 PolarHBondContact OD1-N 3.14Å; I173-G177 WeakPolarHBondContact O-CA 3.41Å; I173-G177 PolarHBondContact O-N 3.08Å
174	I	98.4	Very high	98	Very high	82 Å²	82	39.6 Å²	39.6	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-65.2	-46	174.3	-66.9	172.9	0	0	0	111.5	P164 H172 G177 R178	P164-I174 HydrophobicContact CB-CB 4.21Å; P164-I174 HydrophobicContact CB-CG2 4.23Å; P164-I174 HydrophobicContact CG-CB 4.15Å; P164-I174 HydrophobicContact CG-CD1 3.68Å; P164-I174 HydrophobicContact CG-CG1 4.41Å; P164-I174 HydrophobicContact CG-CG2 4.45Å; H172-I174 WeakPolarHBondContact ND1-CB 3.44Å; H172-I174 PolarHBondContact ND1-N 3.07Å; H172-I174 PolarHBondContact O-N 3.08Å; H172-I174 VanDerWaalsContact O-N 3.1Å; I174-G177 PolarHBondContact O-N 3.34Å; I174-R178 HydrophobicContact CG2-CG 4.39Å; I174-R178 WeakPolarHBondContact O-CB 3.48Å; I174-R178 VanDerWaalsContact O-CG 3.26Å; I174-R178 WeakPolarHBondContact O-CG 3.24Å; I174-R178 PolarHBondContact O-N 3.44Å
175	N	98.6	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-42.4	178.8	-84.2	-47.2	0	0	0	111.7	P164 D167 H172 L179 S185 L186 Y347	P164-N175 PolarHBondContact O-ND2 3.44Å; D167-N175 PolarHBondContact OD2-ND2 2.86Å; H172-N175 PolarHBondContact O-N 3.3Å; N175-L179 WeakPolarHBondContact O-CB 3.26Å; N175-L179 PolarHBondContact O-N 2.82Å; N175-S185 WeakPolarHBondContact O-CB 3.42Å; N175-S185 PolarHBondContact O-OG 3.22Å; N175-S185 VanDerWaalsContact O-OG 3.08Å; N175-L186 PolarHBondContact OD1-N 3.39Å; N175-Y347 PolarHBondContact OD1-OH 3.24Å
176	I	98.2	Very high	98	Very high	24 Å²	24	35.1 Å²	35.1	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-42.3	174.9	-65.9	-62.1	0	0	0	111.4	G170 H172 L179 C180 P188 M221 P222	G170-I176 WeakPolarHBondContact O-CD1 3.18Å; G170-I176 WeakPolarHBondContact O-CG1 3.41Å; H172-I176 PolarHBondContact O-N 3.37Å; I176-L179 WeakPolarHBondContact O-CB 3.32Å; I176-L179 PolarHBondContact O-N 3.22Å; I176-C180 PolarHBondContact O-N 3.49Å; I176-C180 PolarHBondContact O-SG 3.15Å; I176-P188 HydrophobicContact CD1-CG 3.82Å; I176-M221 HydrophobicContact CD1-CE 4.34Å; I176-M221 HydrophobicContact CG2-CE 3.67Å; I176-P222 HydrophobicContact CD1-CG 4.29Å
177	G	98.4	Very high	98	Very high	29 Å²	29	35.3 Å²	35.3	30%	0.299	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-47.1	177.4	0	0	0	0	0	111.7	I173 I174 L179 C180 L181	I173-G177 WeakPolarHBondContact O-CA 3.41Å; I173-G177 PolarHBondContact O-N 3.08Å; I174-G177 PolarHBondContact O-N 3.34Å; G177-L179 PolarHBondContact O-N 2.91Å; G177-C180 PolarHBondContact O-N 3.25Å; G177-L181 WeakPolarHBondContact O-CG 3.39Å; G177-L181 PolarHBondContact O-N 3.23Å; G177-L181 VanDerWaalsContact O-N 3.08Å
178	R	98.5	Very high	98	Very high	62 Å²	62	35.2 Å²	35.2	23%	0.234	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-41.5	174.1	-71.6	176.1	69.2	78.6	4.2	111.8	I174 C180 L181 D182 Q183 H184 E234	I174-R178 HydrophobicContact CG2-CG 4.39Å; I174-R178 WeakPolarHBondContact O-CB 3.48Å; I174-R178 VanDerWaalsContact O-CG 3.26Å; I174-R178 WeakPolarHBondContact O-CG 3.24Å; I174-R178 PolarHBondContact O-N 3.44Å; R178-C180 VanDerWaalsContact C-N 3.34Å; R178-C180 PolarHBondContact O-N 2.89Å; R178-L181 CarbonylContact O-C 3.6Å; R178-L181 PolarHBondContact O-N 2.91Å; R178-L181 VanDerWaalsContact O-N 3.15Å; R178-D182 PolarHBondContact O-N 3.29Å; R178-Q183 HydrophobicContact CB-CB 4.06Å; R178-Q183 HydrophobicContact CG-CB 4.44Å; R178-Q183 PolarHBondContact O-N 3.21Å; R178-H184 PolarHBondContact NE-O 3.34Å; R178-H184 PolarHBondContact NH2-O 2.91Å; R178-E234 IonicContact NH2-OE1 3.97Å
179	L	98.3	Very high	97.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-45.2	173.7	173.4	65.4	0	0	0	111.5	N175 I176 G177 L181 D182 I187 P222 L226 R235	N175-L179 WeakPolarHBondContact O-CB 3.26Å; N175-L179 PolarHBondContact O-N 2.82Å; I176-L179 WeakPolarHBondContact O-CB 3.32Å; I176-L179 PolarHBondContact O-N 3.22Å; G177-L179 PolarHBondContact O-N 2.91Å; L179-L181 PolarHBondContact O-N 2.87Å; L179-D182 PolarHBondContact O-N 3.46Å; L179-I187 HydrophobicContact CD1-CG1 4.31Å; L179-P222 HydrophobicContact CD2-CB 3.75Å; L179-P222 HydrophobicContact CD2-CG 4.46Å; L179-L226 HydrophobicContact CD1-CD2 3.59Å; L179-L226 HydrophobicContact CD1-CG 4.1Å; L179-R235 PolarHBondContact O-NH2 3.41Å
180	C	98.3	Very high	98	Very high	59 Å²	59	35.8 Å²	35.8	40%	0.399	19%	0.19	S	C	.	.	H	α-helix	trans	-69.7	-18.2	179	-67	0	0	0	0	113.7	I176 G177 R178	I176-C180 PolarHBondContact O-N 3.49Å; I176-C180 PolarHBondContact O-SG 3.15Å; G177-C180 PolarHBondContact O-N 3.25Å; R178-C180 VanDerWaalsContact C-N 3.34Å; R178-C180 PolarHBondContact O-N 2.89Å
181	L	98.3	Very high	98.1	Very high	120 Å²	120	35.9 Å²	35.9	63%	0.628	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	12	177.8	-66.2	175.3	0	0	0	112.7	G177 R178 L179 Q183	G177-L181 WeakPolarHBondContact O-CG 3.39Å; G177-L181 PolarHBondContact O-N 3.23Å; G177-L181 VanDerWaalsContact O-N 3.08Å; R178-L181 CarbonylContact O-C 3.6Å; R178-L181 PolarHBondContact O-N 2.91Å; R178-L181 VanDerWaalsContact O-N 3.15Å; L179-L181 PolarHBondContact O-N 2.87Å; L181-Q183 HydrophobicContact CB-CG 4.26Å; L181-Q183 PolarHBondContact O-N 3.33Å
182	D	98	Very high	98.1	Very high	16 Å²	16	35.4 Å²	35.4	9%	0.086	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	27.4	179.6	-52.1	-29.8	0	0	0	115.4	R178 L179 T229 H233 R235	R178-D182 PolarHBondContact O-N 3.29Å; L179-D182 PolarHBondContact O-N 3.46Å; D182-T229 WeakPolarHBondContact OD1-CB 3.47Å; D182-T229 WeakPolarHBondContact OD1-CG2 3.37Å; D182-T229 PolarHBondContact OD1-OG1 3.3Å; D182-T229 WeakPolarHBondContact OD2-CB 3.28Å; D182-H233 HydrophobicContact CB-CB 3.57Å; D182-H233 WeakPolarHBondContact CB-ND1 3.26Å; D182-H233 IonicContact OD2-CE1 2.65Å; D182-H233 PolarHBondContact OD2-CE1 2.76Å; D182-H233 IonicContact OD2-CG 2.7Å; D182-H233 IonicContact OD2-ND1 3.44Å; D182-H233 PolarHBondContact OD2-ND1 3.33Å; D182-R235 WeakPolarHBondContact O-CB 3.18Å; D182-R235 PolarHBondContact O-N 3.1Å; D182-R235 IonicContact OD1-CZ 2.65Å; D182-R235 VanDerWaalsContact OD1-CZ 3.3Å; D182-R235 IonicContact OD1-NH1 3.8Å; D182-R235 PolarHBondContact OD1-NH1 2.96Å; D182-R235 IonicContact OD1-NH2 3Å; D182-R235 PolarHBondContact OD1-NH2 2.97Å
183	Q	98.1	Very high	98.1	Very high	64 Å²	64	34.6 Å²	34.6	30%	0.299	19%	0.186	S	C	.	.			trans	-96.3	160.1	176.7	-62.6	179.7	-36.3	0	0	111.3	R178 L181 S185	R178-Q183 HydrophobicContact CB-CB 4.06Å; R178-Q183 HydrophobicContact CG-CB 4.44Å; R178-Q183 PolarHBondContact O-N 3.21Å; L181-Q183 HydrophobicContact CB-CG 4.26Å; L181-Q183 PolarHBondContact O-N 3.33Å; Q183-S185 PolarHBondContact O-N 3.21Å
184	H	96.9	Very high	98.2	Very high	90 Å²	90	29.7 Å²	29.7	42%	0.417	16%	0.161	S	C	.	.			trans	-61.2	128.1	173.8	-67.8	-46	0	0	0	111.2	R178 E234 I346	R178-H184 PolarHBondContact NE-O 3.34Å; R178-H184 PolarHBondContact NH2-O 2.91Å; H184-E234 WeakPolarHBondContact CB-OE1 3.37Å; H184-E234 IonicContact CD2-OE1 3.92Å; H184-E234 PolarHBondContact CD2-OE1 2.95Å; H184-E234 PolarHBondContact CE1-O 2.92Å; H184-E234 IonicContact CG-OE1 2.68Å; H184-E234 VanDerWaalsContact CG-OE1 3.3Å; H184-E234 PolarHBondContact N-OE1 3.02Å; H184-E234 IonicContact NE2-OE1 2.78Å; H184-I346 HydrophobicContact CB-CG2 4.24Å
185	S	97.8	Very high	98.2	Very high	8 Å²	8	27.2 Å²	27.2	6%	0.056	15%	0.146	C	C	.	.			trans	-150.5	166.5	175.5	68	0	0	0	0	111.3	N175 Q183 I187 I346	N175-S185 WeakPolarHBondContact O-CB 3.42Å; N175-S185 PolarHBondContact O-OG 3.22Å; N175-S185 VanDerWaalsContact O-OG 3.08Å; Q183-S185 PolarHBondContact O-N 3.21Å; S185-I187 PolarHBondContact O-N 3.5Å; S185-I187 VanDerWaalsContact O-N 3.15Å; S185-I346 WeakPolarHBondContact O-CD1 3.17Å
186	L	98.2	Very high	98.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.149	C	C	.	.			trans	-71.7	106.7	164.3	-66.3	173.5	0	0	0	107.6	D167 G170 N175 N337 L340 A341 I346	D167-L186 WeakPolarHBondContact O-CB 3.49Å; D167-L186 VanDerWaalsContact O-CD1 3.24Å; D167-L186 WeakPolarHBondContact O-CD1 3.37Å; G170-L186 WeakPolarHBondContact CA-O 3.47Å; N175-L186 PolarHBondContact OD1-N 3.39Å; L186-N337 HydrophobicContact CD2-CB 4.09Å; L186-L340 HydrophobicContact CD2-CB 4.33Å; L186-A341 HydrophobicContact CD1-CB 4.37Å; L186-I346 HydrophobicContact CD2-CD1 3.76Å; L186-I346 HydrophobicContact CG-CD1 4.17Å
187	I	98.2	Very high	98.2	Very high	24 Å²	24	26.6 Å²	26.6	12%	0.123	14%	0.143	C	C	.	.			trans	-82	139.4	-175.7	-59.8	169.4	0	0	0	109	L179 S185 A189 A191 L226 N337	L179-I187 HydrophobicContact CD1-CG1 4.31Å; S185-I187 PolarHBondContact O-N 3.5Å; S185-I187 VanDerWaalsContact O-N 3.15Å; I187-A189 PolarHBondContact O-N 3.44Å; I187-A191 HydrophobicContact CG2-CB 4.41Å; I187-L226 HydrophobicContact CD1-CD2 4.01Å; I187-L226 HydrophobicContact CG2-CD1 3.88Å; I187-L226 HydrophobicContact CG2-CD2 4.33Å; I187-N337 PolarHBondContact O-ND2 3.48Å
188	P	98.4	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.			trans	-44.4	125	171.7	-34.4	39.1	0	0	0	114.1	D169 G170 F171 I176 T190 A191 S192 P222	D169-P188 VanDerWaalsContact O-CA 3.27Å; D169-P188 WeakPolarHBondContact O-CA 3.39Å; G170-P188 WeakPolarHBondContact O-CG 3.24Å; F171-P188 HydrophobicContact CD1-CG 4.3Å; F171-P188 HydrophobicContact CE1-CB 4.07Å; F171-P188 HydrophobicContact CE1-CG 4.32Å; I176-P188 HydrophobicContact CD1-CG 3.82Å; P188-T190 VanDerWaalsContact C-N 3.27Å; P188-T190 PolarHBondContact O-N 2.96Å; P188-T190 VanDerWaalsContact O-N 3.16Å; P188-A191 HydrophobicContact CB-CB 4.16Å; P188-A191 WeakPolarHBondContact O-CB 3.19Å; P188-A191 PolarHBondContact O-N 3.08Å; P188-S192 PolarHBondContact O-N 2.94Å; P188-P222 HydrophobicContact CB-CB 4.24Å; P188-P222 HydrophobicContact CB-CG 4.3Å; P188-P222 HydrophobicContact CG-CB 3.93Å; P188-P222 HydrophobicContact CG-CG 3.82Å
189	A	97.7	Very high	98.2	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-56.6	-39.6	-168.1	0	0	0	0	0	112.9	I187 A193 T330 M333 L334	I187-A189 PolarHBondContact O-N 3.44Å; A189-A193 VanDerWaalsContact O-CB 3.26Å; A189-A193 WeakPolarHBondContact O-CB 3.39Å; A189-A193 PolarHBondContact O-N 3.16Å; A189-T330 HydrophobicContact CB-CG2 4.06Å; A189-M333 HydrophobicContact CB-CB 4.31Å; A189-M333 WeakPolarHBondContact O-CB 3.27Å; A189-L334 HydrophobicContact CB-CB 4.15Å
190	T	97.8	Very high	98.3	Very high	28 Å²	28	31.9 Å²	31.9	17%	0.172	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-39.2	176.4	-58.3	0	0	0	0	112.6	P188 A193 V194 V219 V288 V326 T330	P188-T190 VanDerWaalsContact C-N 3.27Å; P188-T190 PolarHBondContact O-N 2.96Å; P188-T190 VanDerWaalsContact O-N 3.16Å; T190-A193 WeakPolarHBondContact O-CB 3.39Å; T190-A193 PolarHBondContact O-N 3.42Å; T190-V194 WeakPolarHBondContact O-CG2 3.32Å; T190-V194 PolarHBondContact O-N 3.02Å; T190-V219 HydrophobicContact CG2-CG1 3.78Å; T190-V219 HydrophobicContact CG2-CG2 4.13Å; T190-V288 HydrophobicContact CG2-CG1 3.4Å; T190-V288 VanDerWaalsContact CG2-CG1 3.4Å; T190-V326 HydrophobicContact CG2-CG1 4Å; T190-T330 WeakPolarHBondContact CA-OG1 3.43Å; T190-T330 VanDerWaalsContact OG1-CG2 3.23Å; T190-T330 WeakPolarHBondContact OG1-CG2 3.47Å; T190-T330 PolarHBondContact OG1-OG1 3.46Å; T190-T330 VanDerWaalsContact OG1-OG1 3.09Å
191	A	98.4	Very high	98.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-67.7	-41.9	177	0	0	0	0	0	111.3	I187 P188 A193 V194 W195 P222 I223 L226	I187-A191 HydrophobicContact CG2-CB 4.41Å; P188-A191 HydrophobicContact CB-CB 4.16Å; P188-A191 WeakPolarHBondContact O-CB 3.19Å; P188-A191 PolarHBondContact O-N 3.08Å; A191-A193 VanDerWaalsContact C-N 3.3Å; A191-A193 PolarHBondContact O-N 3.17Å; A191-V194 PolarHBondContact O-N 3.25Å; A191-W195 WeakPolarHBondContact O-CB 3.26Å; A191-W195 PolarHBondContact O-N 2.98Å; A191-P222 HydrophobicContact CB-CB 3.65Å; A191-I223 HydrophobicContact CB-CG1 3.71Å; A191-L226 HydrophobicContact CB-CD1 3.83Å
192	S	98.4	Very high	98.2	Very high	11 Å²	11	27.4 Å²	27.4	8%	0.077	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-35.6	173.5	-151.4	0	0	0	0	112	P188 W195 E196 M333	P188-S192 PolarHBondContact O-N 2.94Å; S192-W195 PolarHBondContact O-N 3.18Å; S192-E196 WeakPolarHBondContact O-CB 3.33Å; S192-E196 WeakPolarHBondContact O-CG 3.4Å; S192-E196 PolarHBondContact O-N 3.32Å; S192-M333 WeakPolarHBondContact OG-CE 3.33Å
193	A	98.7	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-46.2	174.5	0	0	0	0	0	112.5	A189 T190 A191 W195 E196 I197 V326 M329 M333	A189-A193 VanDerWaalsContact O-CB 3.26Å; A189-A193 WeakPolarHBondContact O-CB 3.39Å; A189-A193 PolarHBondContact O-N 3.16Å; T190-A193 WeakPolarHBondContact O-CB 3.39Å; T190-A193 PolarHBondContact O-N 3.42Å; A191-A193 VanDerWaalsContact C-N 3.3Å; A191-A193 PolarHBondContact O-N 3.17Å; A193-W195 VanDerWaalsContact C-N 3.33Å; A193-E196 PolarHBondContact O-N 3.31Å; A193-I197 VanDerWaalsContact O-CG1 3.32Å; A193-I197 WeakPolarHBondContact O-CG1 3.24Å; A193-I197 PolarHBondContact O-N 3.25Å; A193-V326 HydrophobicContact CB-CG1 4.26Å; A193-M329 HydrophobicContact CB-CB 3.56Å; A193-M333 HydrophobicContact CB-CG 4.01Å
194	V	98.8	Very high	98.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-44.1	175.2	170.4	0	0	0	0	110.8	T190 A191 I197 I198 I223 I265 I286 V288 V326	T190-V194 WeakPolarHBondContact O-CG2 3.32Å; T190-V194 PolarHBondContact O-N 3.02Å; A191-V194 PolarHBondContact O-N 3.25Å; V194-I197 WeakPolarHBondContact O-CB 3.47Å; V194-I197 PolarHBondContact O-N 3.45Å; V194-I198 HydrophobicContact CG1-CD1 4.06Å; V194-I198 WeakPolarHBondContact O-CG1 3.36Å; V194-I198 PolarHBondContact O-N 3.35Å; V194-I223 HydrophobicContact CB-CD1 4.29Å; V194-I223 HydrophobicContact CB-CG1 4.34Å; V194-I223 HydrophobicContact CG1-CG2 4.36Å; V194-I223 HydrophobicContact CG2-CD1 3.85Å; V194-I223 HydrophobicContact CG2-CG1 4.42Å; V194-I265 HydrophobicContact CG1-CD1 3.82Å; V194-I265 HydrophobicContact CG1-CG1 4.28Å; V194-I265 HydrophobicContact CG1-CG2 4.37Å; V194-I286 HydrophobicContact CG1-CD1 4.08Å; V194-I286 HydrophobicContact CG1-CG2 4.25Å; V194-I286 HydrophobicContact CG2-CG2 4.05Å; V194-V288 HydrophobicContact CG2-CG2 3.79Å; V194-V326 HydrophobicContact CG2-CG1 4.06Å; V194-V326 HydrophobicContact CG2-CG2 4.34Å
195	W	98.6	Very high	98.4	Very high	30 Å²	30	27.6 Å²	27.6	11%	0.114	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-45.8	176.8	-171.9	-115.9	0	0	0	112.7	A191 S192 A193 I197 I198 K199 T205 L226 L227 G237	A191-W195 WeakPolarHBondContact O-CB 3.26Å; A191-W195 PolarHBondContact O-N 2.98Å; S192-W195 PolarHBondContact O-N 3.18Å; A193-W195 VanDerWaalsContact C-N 3.33Å; W195-I197 PolarHBondContact O-N 3.39Å; W195-I198 PolarHBondContact O-N 2.87Å; W195-K199 HydrophobicContact CZ2-CD 4.44Å; W195-K199 WeakPolarHBondContact O-CG 3.27Å; W195-K199 PolarHBondContact O-N 3.09Å; W195-T205 HydrophobicContact CZ3-CG2 4.4Å; W195-L226 HydrophobicContact CB-CD1 4.21Å; W195-L226 HydrophobicContact CE3-CB 4.19Å; W195-L227 HydrophobicContact CE3-CD2 3.85Å; W195-L227 HydrophobicContact CE3-CG 4.25Å; W195-L227 HydrophobicContact CZ3-CD2 3.53Å; W195-L227 HydrophobicContact CZ3-CG 4.12Å; W195-G237 WeakPolarHBondContact CH2-O 3.38Å; W195-G237 WeakPolarHBondContact CZ2-O 3.42Å
196	E	98.6	Very high	98.4	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.051	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-36.9	176.3	-75	-71	143.2	0	0	112.5	S192 A193 K199 R200 M329 M333 K336	S192-E196 WeakPolarHBondContact O-CB 3.33Å; S192-E196 WeakPolarHBondContact O-CG 3.4Å; S192-E196 PolarHBondContact O-N 3.32Å; A193-E196 PolarHBondContact O-N 3.31Å; E196-K199 VanDerWaalsContact OE1-CE 3.27Å; E196-K199 WeakPolarHBondContact OE1-CE 3.39Å; E196-K199 IonicContact OE1-NZ 2.78Å; E196-K199 PolarHBondContact OE1-NZ 3.17Å; E196-R200 VanDerWaalsContact O-CB 3.25Å; E196-R200 WeakPolarHBondContact O-CB 3.36Å; E196-R200 VanDerWaalsContact O-CG 3.32Å; E196-R200 WeakPolarHBondContact O-CG 3.49Å; E196-R200 PolarHBondContact O-N 3.39Å; E196-R200 IonicContact OE2-CZ 3.64Å; E196-R200 IonicContact OE2-NE 3.53Å; E196-R200 PolarHBondContact OE2-NE 3.3Å; E196-R200 IonicContact OE2-NH2 2.81Å; E196-R200 PolarHBondContact OE2-NH2 3.35Å; E196-M329 HydrophobicContact CB-CE 3.78Å; E196-M333 HydrophobicContact CG-CE 3.9Å; E196-M333 HydrophobicContact CG-SD 3.87Å; E196-K336 IonicContact OE1-NZ 3.58Å
197	I	98.8	Very high	98.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-50.8	172.6	-76.1	166.3	0	0	0	110.4	I54 M59 A193 V194 W195 T201 I286 T320 V326 M329	I54-I197 HydrophobicContact CD1-CG2 3.99Å; I54-I197 HydrophobicContact CG2-CG2 3.96Å; M59-I197 HydrophobicContact SD-CG1 4.08Å; A193-I197 VanDerWaalsContact O-CG1 3.32Å; A193-I197 WeakPolarHBondContact O-CG1 3.24Å; A193-I197 PolarHBondContact O-N 3.25Å; V194-I197 WeakPolarHBondContact O-CB 3.47Å; V194-I197 PolarHBondContact O-N 3.45Å; W195-I197 PolarHBondContact O-N 3.39Å; I197-T201 WeakPolarHBondContact O-CB 3.42Å; I197-T201 PolarHBondContact O-N 3.3Å; I197-T201 VanDerWaalsContact O-N 3.1Å; I197-T201 PolarHBondContact O-OG1 3.09Å; I197-I286 HydrophobicContact CG2-CD1 4.12Å; I197-T320 HydrophobicContact CD1-CG2 4.37Å; I197-T320 HydrophobicContact CG2-CG2 4.24Å; I197-V326 HydrophobicContact CD1-CG2 3.91Å; I197-M329 HydrophobicContact CD1-CB 4.46Å; I197-M329 HydrophobicContact CD1-CG 4.08Å; I197-M329 HydrophobicContact CG1-CE 4.11Å; I197-M329 HydrophobicContact CG1-CG 4.1Å
198	I	98.7	Very high	98.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-54.6	-179.3	-70.1	169.7	0	0	0	110.3	V194 W195 T201 G202 I203 T205 L227 I265 I286	V194-I198 HydrophobicContact CG1-CD1 4.06Å; V194-I198 WeakPolarHBondContact O-CG1 3.36Å; V194-I198 PolarHBondContact O-N 3.35Å; W195-I198 PolarHBondContact O-N 2.87Å; I198-T201 PolarHBondContact O-N 3.03Å; I198-G202 PolarHBondContact O-N 3.17Å; I198-G202 VanDerWaalsContact O-N 3.13Å; I198-I203 HydrophobicContact CG2-CB 4.05Å; I198-I203 HydrophobicContact CG2-CG2 4.31Å; I198-I203 WeakPolarHBondContact CG2-O 3.32Å; I198-I203 PolarHBondContact O-N 3.01Å; I198-I203 VanDerWaalsContact O-N 3.12Å; I198-T205 HydrophobicContact CG2-CG2 3.52Å; I198-L227 HydrophobicContact CD1-CD1 4.45Å; I198-L227 HydrophobicContact CD1-CD2 3.7Å; I198-I265 HydrophobicContact CD1-CD1 4.44Å; I198-I286 HydrophobicContact CD1-CD1 3.84Å; I198-I286 HydrophobicContact CG1-CD1 3.45Å; I198-I286 VanDerWaalsContact CG1-CD1 3.45Å
199	K	98.3	Very high	98.5	Very high	105 Å²	105	42.5 Å²	42.5	46%	0.457	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-50.6	-177.5	-72	-168.4	-54.3	175.3	0	112.8	W195 E196 T201 G202	W195-K199 HydrophobicContact CZ2-CD 4.44Å; W195-K199 WeakPolarHBondContact O-CG 3.27Å; W195-K199 PolarHBondContact O-N 3.09Å; E196-K199 VanDerWaalsContact OE1-CE 3.27Å; E196-K199 WeakPolarHBondContact OE1-CE 3.39Å; E196-K199 IonicContact OE1-NZ 2.78Å; E196-K199 PolarHBondContact OE1-NZ 3.17Å; K199-T201 PolarHBondContact O-N 3.21Å; K199-G202 PolarHBondContact O-N 3.22Å
200	R	98.4	Very high	98.5	Very high	96 Å²	96	42.4 Å²	42.4	36%	0.362	23%	0.225	S	C	.	.	H	α-helix	trans	-71.4	-20.5	-175.4	-67.9	-178.8	179.6	-116.3	2.3	112.8	M59 E66 E196	M59-R200 HydrophobicContact CE-CB 3.74Å; M59-R200 HydrophobicContact SD-CB 3.88Å; M59-R200 HydrophobicContact SD-CG 4.35Å; E66-R200 IonicContact OE1-CZ 2.69Å; E66-R200 IonicContact OE1-NH1 3.24Å; E66-R200 PolarHBondContact OE1-NH1 2.93Å; E66-R200 IonicContact OE1-NH2 2.61Å; E66-R200 IonicContact OE2-CZ 3.84Å; E66-R200 IonicContact OE2-NH1 3.65Å; E66-R200 IonicContact OE2-NH2 3.53Å; E66-R200 PolarHBondContact OE2-NH2 3.43Å; E196-R200 VanDerWaalsContact O-CB 3.25Å; E196-R200 WeakPolarHBondContact O-CB 3.36Å; E196-R200 VanDerWaalsContact O-CG 3.32Å; E196-R200 WeakPolarHBondContact O-CG 3.49Å; E196-R200 PolarHBondContact O-N 3.39Å; E196-R200 IonicContact OE2-CZ 3.64Å; E196-R200 IonicContact OE2-NE 3.53Å; E196-R200 PolarHBondContact OE2-NE 3.3Å; E196-R200 IonicContact OE2-NH2 2.81Å; E196-R200 PolarHBondContact OE2-NH2 3.35Å
201	T	98.3	Very high	98.6	Very high	37 Å²	37	41.2 Å²	41.2	23%	0.227	22%	0.218	C	C	.	.	H	α-helix	trans	-85.4	-13.9	173	-50.1	0	0	0	0	112	I54 I197 I198 K199 I203 F318	I54-T201 HydrophobicContact CD1-CG2 3.96Å; I54-T201 HydrophobicContact CG1-CG2 4.2Å; I197-T201 WeakPolarHBondContact O-CB 3.42Å; I197-T201 PolarHBondContact O-N 3.3Å; I197-T201 VanDerWaalsContact O-N 3.1Å; I197-T201 PolarHBondContact O-OG1 3.09Å; I198-T201 PolarHBondContact O-N 3.03Å; K199-T201 PolarHBondContact O-N 3.21Å; T201-I203 VanDerWaalsContact C-N 3.34Å; T201-I203 HydrophobicContact CG2-CD1 3.89Å; T201-I203 HydrophobicContact CG2-CG1 3.96Å; T201-F318 HydrophobicContact CG2-CD1 3.55Å; T201-F318 HydrophobicContact CG2-CE1 3.47Å; T201-F318 VanDerWaalsContact CG2-CE1 3.47Å; T201-F318 HydrophobicContact CG2-CG 4.46Å; T201-F318 HydrophobicContact CG2-CZ 4.34Å
202	G	98.1	Very high	98.6	Very high	47 Å²	47	41.2 Å²	41.2	49%	0.485	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	18.9	-177.9	0	0	0	0	0	114	I198 K199 Q204	I198-G202 PolarHBondContact O-N 3.17Å; I198-G202 VanDerWaalsContact O-N 3.13Å; K199-G202 PolarHBondContact O-N 3.22Å; G202-Q204 PolarHBondContact O-N 3.24Å; G202-Q204 PolarHBondContact O-NE2 2.85Å
203	I	98.4	Very high	98.6	Very high	20 Å²	20	40.9 Å²	40.9	10%	0.103	22%	0.215	C	C	.	.			trans	-70.3	122.5	177.2	-64.7	163.7	0	0	0	108.2	I54 I198 T201 I263 A284 F318	I54-I203 HydrophobicContact CD1-CD1 4.1Å; I198-I203 HydrophobicContact CG2-CB 4.05Å; I198-I203 HydrophobicContact CG2-CG2 4.31Å; I198-I203 WeakPolarHBondContact CG2-O 3.32Å; I198-I203 PolarHBondContact O-N 3.01Å; I198-I203 VanDerWaalsContact O-N 3.12Å; T201-I203 VanDerWaalsContact C-N 3.34Å; T201-I203 HydrophobicContact CG2-CD1 3.89Å; T201-I203 HydrophobicContact CG2-CG1 3.96Å; I203-I263 HydrophobicContact CG2-CD1 3.68Å; I203-I263 HydrophobicContact CG2-CG1 4.08Å; I203-A284 HydrophobicContact CD1-CB 3.84Å; I203-A284 HydrophobicContact CG1-CB 4.46Å; I203-A284 HydrophobicContact CG2-CB 4.14Å; I203-F318 HydrophobicContact CD1-CB 4.25Å; I203-F318 HydrophobicContact CD1-CD1 4.47Å; I203-F318 HydrophobicContact CD1-CD2 4.28Å; I203-F318 HydrophobicContact CD1-CG 4.09Å; I203-F318 HydrophobicContact CG1-CD2 4.1Å; I203-F318 HydrophobicContact CG1-CE2 4.21Å; I203-F318 HydrophobicContact CG1-CG 4.31Å
204	Q	98.4	Very high	98.6	Very high	134 Å²	134	41.2 Å²	41.2	63%	0.626	22%	0.219	S	C	*	.			trans	-73.1	135.3	-179.7	-60.7	-60	-59.7	0	0	110.8	G202 K208	G202-Q204 PolarHBondContact O-N 3.24Å; G202-Q204 PolarHBondContact O-NE2 2.85Å; Q204-K208 VanDerWaalsContact O-CG 3.29Å; Q204-K208 WeakPolarHBondContact O-CG 3.44Å
205	T	98.8	Very high	98.5	Very high	20 Å²	20	45.6 Å²	45.6	12%	0.123	24%	0.235	C	C	.	.			trans	-111.8	-32.5	176.1	56.8	0	0	0	0	112.8	W195 I198 G207 K208 L227 G238 A240 I263	W195-T205 HydrophobicContact CZ3-CG2 4.4Å; I198-T205 HydrophobicContact CG2-CG2 3.52Å; T205-G207 PolarHBondContact O-N 3.17Å; T205-K208 VanDerWaalsContact O-CB 3.31Å; T205-K208 WeakPolarHBondContact O-CB 3.31Å; T205-K208 PolarHBondContact O-N 3.4Å; T205-L227 HydrophobicContact CG2-CD2 3.82Å; T205-G238 CarbonylContact C-O 3.15Å; T205-G238 WeakPolarHBondContact CB-O 3.17Å; T205-G238 WeakPolarHBondContact OG1-CA 3.4Å; T205-G238 PolarHBondContact OG1-O 2.8Å; T205-A240 WeakPolarHBondContact O-CB 3.49Å; T205-I263 HydrophobicContact CG2-CD1 4Å
206	F	98.6	Very high	98.4	Very high	150 Å²	150	46.9 Å²	46.9	66%	0.658	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	120.8	-177.2	-176.5	-86.8	0	0	0	111.4	K208 G238 D239	F206-K208 PolarHBondContact O-N 2.93Å; F206-G238 WeakPolarHBondContact CA-O 3.35Å; F206-G238 PolarHBondContact N-O 2.95Å; F206-D239 HydrophobicContact CB-CB 4.36Å; F206-D239 HydrophobicContact CD2-CB 3.35Å; F206-D239 HydrophobicContact CE2-CB 3.88Å; F206-D239 HydrophobicContact CG-CB 4.13Å
207	G	98.4	Very high	98.2	Very high	53 Å²	53	52.6 Å²	52.6	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	13.5	-179.2	0	0	0	0	0	114.9	T205 D239	T205-G207 PolarHBondContact O-N 3.17Å; G207-D239 PolarHBondContact N-O 2.94Å
208	K	98.8	Very high	97.8	Very high	76 Å²	76	54.3 Å²	54.3	33%	0.33	28%	0.282	S	S	.	.			trans	-92.1	152.8	179.3	-61.8	-51.4	-175.8	179.8	0	112.4	Q204 T205 F206 A240 T241 D262	Q204-K208 VanDerWaalsContact O-CG 3.29Å; Q204-K208 WeakPolarHBondContact O-CG 3.44Å; T205-K208 VanDerWaalsContact O-CB 3.31Å; T205-K208 WeakPolarHBondContact O-CB 3.31Å; T205-K208 PolarHBondContact O-N 3.4Å; F206-K208 PolarHBondContact O-N 2.93Å; K208-A240 WeakPolarHBondContact O-CA 3.5Å; K208-A240 WeakPolarHBondContact O-CB 3.43Å; K208-T241 PolarHBondContact O-N 3.3Å; K208-D262 HydrophobicContact CB-CB 4Å; K208-D262 HydrophobicContact CD-CB 4.28Å; K208-D262 HydrophobicContact CG-CB 4.38Å
209	N	98.9	Very high	97.7	Very high	67 Å²	67	55.5 Å²	55.5	36%	0.358	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.2	173	-68.9	-27.1	0	0	0	109.7	L260 D262 I263	N209-L260 WeakPolarHBondContact CB-O 3.43Å; N209-L260 PolarHBondContact ND2-O 2.89Å; N209-L260 VanDerWaalsContact ND2-O 3.1Å; N209-D262 PolarHBondContact N-OD2 3.03Å; N209-D262 PolarHBondContact O-N 3Å; N209-I263 PolarHBondContact O-N 2.75Å; N209-I263 VanDerWaalsContact O-N 3.14Å
210	V	98.9	Very high	97.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.7	178.5	176	0	0	0	0	109.2	V212 L227 A240 T241 V242 T243 I263 I265	V210-V212 HydrophobicContact CG1-CG2 4.11Å; V210-L227 HydrophobicContact CG1-CD1 4Å; V210-A240 HydrophobicContact CB-CB 4.34Å; V210-A240 HydrophobicContact CG2-CB 3.47Å; V210-A240 VanDerWaalsContact CG2-CB 3.47Å; V210-T241 PolarHBondContact N-O 3.2Å; V210-V242 HydrophobicContact CB-CG2 4.03Å; V210-V242 HydrophobicContact CG1-CG1 4.44Å; V210-V242 HydrophobicContact CG1-CG2 4.31Å; V210-V242 CarbonylContact O-C 3.32Å; V210-V242 WeakPolarHBondContact O-CA 3.41Å; V210-T243 PolarHBondContact O-N 2.91Å; V210-I263 CarbonylContact C-O 3.58Å; V210-I263 VanDerWaalsContact CA-O 3.31Å; V210-I263 WeakPolarHBondContact CA-O 3.16Å; V210-I263 HydrophobicContact CG2-CB 4.09Å; V210-I263 HydrophobicContact CG2-CD1 4.16Å; V210-I263 HydrophobicContact CG2-CG1 4.38Å; V210-I265 HydrophobicContact CG1-CD1 4.24Å
211	V	98.9	Very high	97.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.3	166.4	172.4	0	0	0	0	109.3	T243 L254 H257 T258 A261 I263 I265	V211-T243 WeakPolarHBondContact CA-O 3.39Å; V211-L254 HydrophobicContact CG1-CD1 4.41Å; V211-H257 HydrophobicContact CG2-CB 3.91Å; V211-H257 WeakPolarHBondContact CG2-O 3.36Å; V211-T258 HydrophobicContact CB-CG2 4.21Å; V211-T258 HydrophobicContact CG1-CG2 3.82Å; V211-T258 HydrophobicContact CG2-CG2 4.37Å; V211-A261 HydrophobicContact CB-CB 4.26Å; V211-A261 HydrophobicContact CG2-CB 3.85Å; V211-I263 PolarHBondContact N-O 3.43Å; V211-I265 PolarHBondContact O-N 3.46Å
212	V	98.9	Very high	97.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	105.3	169.1	-174	0	0	0	0	108.5	V210 G214 I223 A224 V242 T243 A245 I265	V210-V212 HydrophobicContact CG1-CG2 4.11Å; V212-G214 PolarHBondContact O-N 3.36Å; V212-I223 HydrophobicContact CG1-CG2 4.25Å; V212-I223 HydrophobicContact CG2-CG2 3.92Å; V212-A224 HydrophobicContact CG2-CB 4.21Å; V212-V242 HydrophobicContact CG2-CG1 3.96Å; V212-T243 PolarHBondContact N-O 3.28Å; V212-A245 PolarHBondContact O-N 3.04Å; V212-I265 CarbonylContact C-O 3.21Å; V212-I265 WeakPolarHBondContact CA-O 3.2Å; V212-I265 HydrophobicContact CG2-CB 4.5Å; V212-I265 HydrophobicContact CG2-CD1 4.42Å
213	A	98.7	Very high	97.7	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	89.6	176	0	0	0	0	0	110	L254 I265 V266 A267 A268	A213-L254 HydrophobicContact CB-CD1 4.29Å; A213-I265 PolarHBondContact N-O 3.41Å; A213-V266 HydrophobicContact CB-CB 4.32Å; A213-V266 HydrophobicContact CB-CG2 4.01Å; A213-A267 CarbonylContact O-C 3.59Å; A213-A267 PolarHBondContact O-N 3.01Å; A213-A268 PolarHBondContact O-N 3.09Å
214	G	97.9	Very high	97.8	Very high	7 Å²	7	42.4 Å²	42.4	7%	0.072	22%	0.219	C	C	.	.			trans	143	136.6	-174.1	0	0	0	0	0	110.5	V212 G220 A245	V212-G214 PolarHBondContact O-N 3.36Å; G214-G220 WeakPolarHBondContact O-CA 3.47Å; G214-A245 PolarHBondContact N-O 3.39Å
215	R	97.4	Very high	97.8	Very high	95 Å²	95	37.6 Å²	37.6	36%	0.358	20%	0.197	S	C	.	.			trans	-127.9	21	-178.8	69.5	170.8	177.8	-169.8	2.6	113.9	I244 H246	R215-I244 HydrophobicContact CB-CG2 4Å; R215-H246 HydrophobicContact CB-CB 4.35Å; R215-H246 HydrophobicContact CG-CB 3.71Å; R215-H246 PolarHBondContact NH1-CD2 2.91Å; R215-H246 PolarHBondContact NH1-NE2 3.3Å
216	S	95.7	Very high	97.8	Very high	57 Å²	57	36.8 Å²	36.8	40%	0.399	19%	0.192	S	C	.	.			trans	-58.5	146.9	176.4	61.5	0	0	0	0	109.8	N218 V219 G220 M221	S216-N218 PolarHBondContact O-N 2.9Å; S216-V219 WeakPolarHBondContact OG-CB 3.28Å; S216-V219 PolarHBondContact OG-N 2.85Å; S216-G220 PolarHBondContact O-N 2.87Å; S216-G220 PolarHBondContact OG-N 3.02Å; S216-M221 PolarHBondContact O-N 3.23Å
217	K	94.1	Very high	97.8	Very high	130 Å²	130	29.7 Å²	29.7	57%	0.565	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22	-176.6	-58.6	-55.3	-175.1	176.4	0	112.9	P222	K217-P222 VanDerWaalsContact O-CD 3.22Å; K217-P222 WeakPolarHBondContact O-CD 3.3Å; K217-P222 WeakPolarHBondContact O-CG 3.39Å
218	N	91.3	Very high	97.8	Very high	36 Å²	36	31.2 Å²	31.2	19%	0.193	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-17	-174.1	-58.3	-2.4	0	0	0	112.7	L147 F171 S216	L147-N218 VanDerWaalsContact CD1-ND2 3.31Å; L147-N218 WeakPolarHBondContact CD1-ND2 3.42Å; F171-N218 HydrophobicContact CD1-CB 4.08Å; F171-N218 HydrophobicContact CE1-CB 3.44Å; F171-N218 VanDerWaalsContact CE1-CB 3.44Å; F171-N218 HydrophobicContact CE2-CB 4.46Å; F171-N218 HydrophobicContact CZ-CB 3.68Å; S216-N218 PolarHBondContact O-N 2.9Å
219	V	96.6	Very high	97.8	Very high	27 Å²	27	27.9 Å²	27.9	16%	0.164	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-68.5	-175.1	-177.1	0	0	0	0	111.3	T190 S216 P222 I223 A267 V288	T190-V219 HydrophobicContact CG2-CG1 3.78Å; T190-V219 HydrophobicContact CG2-CG2 4.13Å; S216-V219 WeakPolarHBondContact OG-CB 3.28Å; S216-V219 PolarHBondContact OG-N 2.85Å; V219-P222 WeakPolarHBondContact O-CD 3.43Å; V219-I223 HydrophobicContact CG1-CD1 3.61Å; V219-I223 WeakPolarHBondContact O-CB 3.4Å; V219-I223 WeakPolarHBondContact O-CD1 3.37Å; V219-I223 WeakPolarHBondContact O-CG1 3.33Å; V219-I223 PolarHBondContact O-N 2.98Å; V219-A267 HydrophobicContact CG1-CB 3.72Å; V219-V288 HydrophobicContact CG1-CG1 3.75Å
220	G	98	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-48.3	-170.3	0	0	0	0	0	114.1	G214 S216 A224	G214-G220 WeakPolarHBondContact O-CA 3.47Å; S216-G220 PolarHBondContact O-N 2.87Å; S216-G220 PolarHBondContact OG-N 3.02Å; G220-A224 PolarHBondContact O-N 2.77Å; G220-A224 VanDerWaalsContact O-N 3.08Å
221	M	98.3	Very high	97.7	Very high	30 Å²	30	28.7 Å²	28.7	15%	0.148	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-50.6	179.4	177.1	-74.5	-68.6	0	0	112	I176 S216 I223 A224 M225	I176-M221 HydrophobicContact CD1-CE 4.34Å; I176-M221 HydrophobicContact CG2-CE 3.67Å; S216-M221 PolarHBondContact O-N 3.23Å; M221-I223 VanDerWaalsContact C-N 3.33Å; M221-I223 PolarHBondContact O-N 2.94Å; M221-A224 WeakPolarHBondContact O-CB 3.49Å; M221-A224 PolarHBondContact O-N 2.76Å; M221-A224 VanDerWaalsContact O-N 3.14Å; M221-M225 WeakPolarHBondContact O-CG 3.23Å; M221-M225 PolarHBondContact O-N 2.81Å; M221-M225 HydrophobicContact SD-CG 3.7Å
222	P	98.6	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-38.5	177.8	-28	36.6	0	0	0	113.9	I176 L179 P188 A191 K217 V219 M225 L226	I176-P222 HydrophobicContact CD1-CG 4.29Å; L179-P222 HydrophobicContact CD2-CB 3.75Å; L179-P222 HydrophobicContact CD2-CG 4.46Å; P188-P222 HydrophobicContact CB-CB 4.24Å; P188-P222 HydrophobicContact CB-CG 4.3Å; P188-P222 HydrophobicContact CG-CB 3.93Å; P188-P222 HydrophobicContact CG-CG 3.82Å; A191-P222 HydrophobicContact CB-CB 3.65Å; K217-P222 VanDerWaalsContact O-CD 3.22Å; K217-P222 WeakPolarHBondContact O-CD 3.3Å; K217-P222 WeakPolarHBondContact O-CG 3.39Å; V219-P222 WeakPolarHBondContact O-CD 3.43Å; P222-M225 PolarHBondContact O-N 3.16Å; P222-L226 WeakPolarHBondContact O-CG 3.24Å; P222-L226 PolarHBondContact O-N 3.25Å
223	I	98.8	Very high	97.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-47.8	174.7	-74.2	168.4	0	0	0	110.6	A191 V194 V212 V219 M221 M225 L226 L227 I265 V288	A191-I223 HydrophobicContact CB-CG1 3.71Å; V194-I223 HydrophobicContact CB-CD1 4.29Å; V194-I223 HydrophobicContact CB-CG1 4.34Å; V194-I223 HydrophobicContact CG1-CG2 4.36Å; V194-I223 HydrophobicContact CG2-CD1 3.85Å; V194-I223 HydrophobicContact CG2-CG1 4.42Å; V212-I223 HydrophobicContact CG1-CG2 4.25Å; V212-I223 HydrophobicContact CG2-CG2 3.92Å; V219-I223 HydrophobicContact CG1-CD1 3.61Å; V219-I223 WeakPolarHBondContact O-CB 3.4Å; V219-I223 WeakPolarHBondContact O-CD1 3.37Å; V219-I223 WeakPolarHBondContact O-CG1 3.33Å; V219-I223 PolarHBondContact O-N 2.98Å; M221-I223 VanDerWaalsContact C-N 3.33Å; M221-I223 PolarHBondContact O-N 2.94Å; I223-M225 VanDerWaalsContact C-N 3.29Å; I223-M225 PolarHBondContact O-N 2.84Å; I223-L226 PolarHBondContact O-N 2.81Å; I223-L227 HydrophobicContact CG2-CD1 3.61Å; I223-L227 WeakPolarHBondContact O-CD1 3.28Å; I223-L227 WeakPolarHBondContact O-CG 3.27Å; I223-L227 PolarHBondContact O-N 3.16Å; I223-I265 HydrophobicContact CD1-CG2 4.09Å; I223-I265 HydrophobicContact CG2-CB 4.46Å; I223-I265 HydrophobicContact CG2-CD1 3.53Å; I223-I265 HydrophobicContact CG2-CG2 4.08Å; I223-V288 HydrophobicContact CD1-CG2 4.38Å
224	A	98.8	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-43	178.5	0	0	0	0	0	111.2	V212 G220 M221 L227 H228 V242 I244	V212-A224 HydrophobicContact CG2-CB 4.21Å; G220-A224 PolarHBondContact O-N 2.77Å; G220-A224 VanDerWaalsContact O-N 3.08Å; M221-A224 WeakPolarHBondContact O-CB 3.49Å; M221-A224 PolarHBondContact O-N 2.76Å; M221-A224 VanDerWaalsContact O-N 3.14Å; A224-L227 PolarHBondContact O-N 3.38Å; A224-H228 PolarHBondContact O-CD2 2.9Å; A224-H228 PolarHBondContact O-N 3.21Å; A224-H228 VanDerWaalsContact O-N 3.07Å; A224-V242 HydrophobicContact CB-CG1 3.9Å; A224-I244 HydrophobicContact CB-CD1 3.62Å; A224-I244 HydrophobicContact CB-CG1 3.88Å
225	M	98.7	Very high	97.4	Very high	33 Å²	33	45.7 Å²	45.7	16%	0.163	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-43.9	-179.4	-61.7	-46.7	88.2	0	0	111.8	M221 P222 I223 L227 H228 T229 I244	M221-M225 WeakPolarHBondContact O-CG 3.23Å; M221-M225 PolarHBondContact O-N 2.81Å; M221-M225 HydrophobicContact SD-CG 3.7Å; P222-M225 PolarHBondContact O-N 3.16Å; I223-M225 VanDerWaalsContact C-N 3.29Å; I223-M225 PolarHBondContact O-N 2.84Å; M225-L227 PolarHBondContact O-N 3.04Å; M225-H228 PolarHBondContact SD-NE2 2.84Å; M225-T229 WeakPolarHBondContact O-CB 3.47Å; M225-T229 WeakPolarHBondContact O-CG2 3.28Å; M225-T229 PolarHBondContact O-N 2.85Å; M225-T229 PolarHBondContact O-OG1 2.92Å; M225-I244 HydrophobicContact CE-CD1 4.35Å
226	L	98.6	Very high	97.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-37.2	176.5	-70.5	170.3	0	0	0	112.5	L179 I187 A191 W195 P222 I223 G237 G238	L179-L226 HydrophobicContact CD1-CD2 3.59Å; L179-L226 HydrophobicContact CD1-CG 4.1Å; I187-L226 HydrophobicContact CD1-CD2 4.01Å; I187-L226 HydrophobicContact CG2-CD1 3.88Å; I187-L226 HydrophobicContact CG2-CD2 4.33Å; A191-L226 HydrophobicContact CB-CD1 3.83Å; W195-L226 HydrophobicContact CB-CD1 4.21Å; W195-L226 HydrophobicContact CE3-CB 4.19Å; P222-L226 WeakPolarHBondContact O-CG 3.24Å; P222-L226 PolarHBondContact O-N 3.25Å; I223-L226 PolarHBondContact O-N 2.81Å; L226-G237 CarbonylContact O-C 3.49Å; L226-G237 WeakPolarHBondContact O-CA 3.45Å; L226-G238 PolarHBondContact O-N 3.23Å; L226-G238 VanDerWaalsContact O-N 3.08Å
227	L	98.8	Very high	97.4	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-83	-33.2	-172.7	-73.8	158.8	0	0	0	113.3	W195 I198 T205 V210 I223 A224 M225 G238 D239 A240 V242 I265	W195-L227 HydrophobicContact CE3-CD2 3.85Å; W195-L227 HydrophobicContact CE3-CG 4.25Å; W195-L227 HydrophobicContact CZ3-CD2 3.53Å; W195-L227 HydrophobicContact CZ3-CG 4.12Å; I198-L227 HydrophobicContact CD1-CD1 4.45Å; I198-L227 HydrophobicContact CD1-CD2 3.7Å; T205-L227 HydrophobicContact CG2-CD2 3.82Å; V210-L227 HydrophobicContact CG1-CD1 4Å; I223-L227 HydrophobicContact CG2-CD1 3.61Å; I223-L227 WeakPolarHBondContact O-CD1 3.28Å; I223-L227 WeakPolarHBondContact O-CG 3.27Å; I223-L227 PolarHBondContact O-N 3.16Å; A224-L227 PolarHBondContact O-N 3.38Å; M225-L227 PolarHBondContact O-N 3.04Å; L227-G238 CarbonylContact O-C 3.52Å; L227-G238 VanDerWaalsContact O-CA 3.32Å; L227-G238 WeakPolarHBondContact O-CA 3.22Å; L227-D239 PolarHBondContact O-N 3.05Å; L227-A240 WeakPolarHBondContact O-CB 3.35Å; L227-A240 PolarHBondContact O-N 3.47Å; L227-V242 HydrophobicContact CB-CG2 3.84Å; L227-I265 HydrophobicContact CD1-CD1 3.15Å
228	H	98.7	Very high	97.7	Very high	84 Å²	84	36.1 Å²	36.1	39%	0.389	19%	0.189	S	C	.	.	H	α-helix	trans	-88.7	-19.3	-175.8	88.1	76.1	0	0	0	114.6	A224 M225 A240 V242	A224-H228 PolarHBondContact O-CD2 2.9Å; A224-H228 PolarHBondContact O-N 3.21Å; A224-H228 VanDerWaalsContact O-N 3.07Å; M225-H228 PolarHBondContact SD-NE2 2.84Å; H228-A240 WeakPolarHBondContact CA-O 3.46Å; H228-V242 HydrophobicContact CB-CB 4Å; H228-V242 HydrophobicContact CB-CG2 3.52Å
229	T	98.4	Very high	98	Very high	6 Å²	6	36.8 Å²	36.8	4%	0.037	19%	0.192	C	C	.	.	S	Bend	trans	-77.9	163.2	-169.9	47.9	0	0	0	0	111.8	D182 M225 R235 G237 G238 D239	D182-T229 WeakPolarHBondContact OD1-CB 3.47Å; D182-T229 WeakPolarHBondContact OD1-CG2 3.37Å; D182-T229 PolarHBondContact OD1-OG1 3.3Å; D182-T229 WeakPolarHBondContact OD2-CB 3.28Å; M225-T229 WeakPolarHBondContact O-CB 3.47Å; M225-T229 WeakPolarHBondContact O-CG2 3.28Å; M225-T229 PolarHBondContact O-N 2.85Å; M225-T229 PolarHBondContact O-OG1 2.92Å; T229-R235 PolarHBondContact OG1-NH1 3.27Å; T229-G237 CarbonylContact O-C 3.51Å; T229-G237 VanDerWaalsContact O-CA 3.31Å; T229-G237 WeakPolarHBondContact O-CA 3.13Å; T229-G237 WeakPolarHBondContact OG1-CA 3.42Å; T229-G238 PolarHBondContact O-N 3.12Å; T229-D239 PolarHBondContact O-N 3.21Å
230	D	98.3	Very high	98.1	Very high	65 Å²	65	35.8 Å²	35.8	35%	0.348	19%	0.187	S	C	.	.			trans	-68.7	132.2	-172.2	-164.9	-38.4	0	0	0	111.5	E232 G237 D239	D230-E232 PolarHBondContact O-N 3.23Å; D230-E232 WeakPolarHBondContact OD1-CB 3.26Å; D230-E232 PolarHBondContact OD1-N 3.19Å; D230-G237 PolarHBondContact O-N 3.44Å; D230-D239 WeakPolarHBondContact CA-OD1 3.45Å
231	G	97.8	Very high	98.2	Very high	20 Å²	20	40 Å²	40	21%	0.206	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20	176.3	0	0	0	0	0	114.5	P236 D239	G231-P236 VanDerWaalsContact O-CB 3.28Å; G231-P236 WeakPolarHBondContact O-CB 3.41Å; G231-D239 WeakPolarHBondContact CA-OD2 3.34Å; G231-D239 PolarHBondContact N-OD2 3.24Å
232	E	97.4	Very high	98.2	Very high	174 Å²	174	40.2 Å²	40.2	81%	0.813	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-1	-176.6	-59.7	-62.6	146.7	0	0	113.7	D230	D230-E232 PolarHBondContact O-N 3.23Å; D230-E232 WeakPolarHBondContact OD1-CB 3.26Å; D230-E232 PolarHBondContact OD1-N 3.19Å
233	H	97.4	Very high	98.2	Very high	88 Å²	88	42.4 Å²	42.4	41%	0.407	23%	0.229	S	C	.	.	S	Bend	trans	-75.6	167.2	176.8	-75.4	174.8	0	0	0	113.4	D182 R235	D182-H233 HydrophobicContact CB-CB 3.57Å; D182-H233 WeakPolarHBondContact CB-ND1 3.26Å; D182-H233 IonicContact OD2-CE1 2.65Å; D182-H233 PolarHBondContact OD2-CE1 2.76Å; D182-H233 IonicContact OD2-CG 2.7Å; D182-H233 IonicContact OD2-ND1 3.44Å; D182-H233 PolarHBondContact OD2-ND1 3.33Å; H233-R235 CarbonylContact O-C 3.49Å; H233-R235 PolarHBondContact O-N 3.32Å; H233-R235 VanDerWaalsContact O-N 3.16Å
234	E	96.6	Very high	98.2	Very high	95 Å²	95	45.8 Å²	45.8	44%	0.444	25%	0.246	S	C	.	.	S	Bend	trans	-46.9	-48.4	-177.7	176.6	-170.9	141.4	0	0	111.8	R178 H184 P236	R178-E234 IonicContact NH2-OE1 3.97Å; H184-E234 WeakPolarHBondContact CB-OE1 3.37Å; H184-E234 IonicContact CD2-OE1 3.92Å; H184-E234 PolarHBondContact CD2-OE1 2.95Å; H184-E234 PolarHBondContact CE1-O 2.92Å; H184-E234 IonicContact CG-OE1 2.68Å; H184-E234 VanDerWaalsContact CG-OE1 3.3Å; H184-E234 PolarHBondContact N-OE1 3.02Å; H184-E234 IonicContact NE2-OE1 2.78Å; E234-P236 WeakPolarHBondContact O-CD 3.11Å
235	R	96.6	Very high	98.2	Very high	14 Å²	14	46.1 Å²	46.1	5%	0.053	25%	0.249	C	C	.	.	S	Bend	trans	-100.1	113.6	163	-177.6	-84.4	-58.9	131.4	-12.8	107.4	L179 D182 T229 H233 G237	L179-R235 PolarHBondContact O-NH2 3.41Å; D182-R235 WeakPolarHBondContact O-CB 3.18Å; D182-R235 PolarHBondContact O-N 3.1Å; D182-R235 IonicContact OD1-CZ 2.65Å; D182-R235 VanDerWaalsContact OD1-CZ 3.3Å; D182-R235 IonicContact OD1-NH1 3.8Å; D182-R235 PolarHBondContact OD1-NH1 2.96Å; D182-R235 IonicContact OD1-NH2 3Å; D182-R235 PolarHBondContact OD1-NH2 2.97Å; T229-R235 PolarHBondContact OG1-NH1 3.27Å; H233-R235 CarbonylContact O-C 3.49Å; H233-R235 PolarHBondContact O-N 3.32Å; H233-R235 VanDerWaalsContact O-N 3.16Å; R235-G237 PolarHBondContact O-N 3.03Å
236	P	97	Very high	98.2	Very high	72 Å²	72	47.5 Å²	47.5	47%	0.468	26%	0.255	S	S	.	.			trans	-61.2	128.6	177.7	-30.3	38.3	0	0	0	113	G231 E234	G231-P236 VanDerWaalsContact O-CB 3.28Å; G231-P236 WeakPolarHBondContact O-CB 3.41Å; E234-P236 WeakPolarHBondContact O-CD 3.11Å
237	G	97.9	Very high	98.2	Very high	8 Å²	8	56.6 Å²	56.6	8%	0.082	29%	0.289	C	S	.	.			trans	-89.5	-158.8	169.7	0	0	0	0	0	113.1	W195 L226 T229 D230 R235	W195-G237 WeakPolarHBondContact CH2-O 3.38Å; W195-G237 WeakPolarHBondContact CZ2-O 3.42Å; L226-G237 CarbonylContact O-C 3.49Å; L226-G237 WeakPolarHBondContact O-CA 3.45Å; T229-G237 CarbonylContact O-C 3.51Å; T229-G237 VanDerWaalsContact O-CA 3.31Å; T229-G237 WeakPolarHBondContact O-CA 3.13Å; T229-G237 WeakPolarHBondContact OG1-CA 3.42Å; D230-G237 PolarHBondContact O-N 3.44Å; R235-G237 PolarHBondContact O-N 3.03Å
238	G	98.5	Very high	98.2	Very high	2 Å²	2	64.4 Å²	64.4	2%	0.021	32%	0.32	C	S	.	.			trans	-117.3	-4.9	-174.9	0	0	0	0	0	116.9	T205 F206 L226 L227 T229 A240	T205-G238 CarbonylContact C-O 3.15Å; T205-G238 WeakPolarHBondContact CB-O 3.17Å; T205-G238 WeakPolarHBondContact OG1-CA 3.4Å; T205-G238 PolarHBondContact OG1-O 2.8Å; F206-G238 WeakPolarHBondContact CA-O 3.35Å; F206-G238 PolarHBondContact N-O 2.95Å; L226-G238 PolarHBondContact O-N 3.23Å; L226-G238 VanDerWaalsContact O-N 3.08Å; L227-G238 CarbonylContact O-C 3.52Å; L227-G238 VanDerWaalsContact O-CA 3.32Å; L227-G238 WeakPolarHBondContact O-CA 3.22Å; T229-G238 PolarHBondContact O-N 3.12Å; G238-A240 PolarHBondContact O-N 3.36Å
239	D	98.8	Very high	98.2	Very high	49 Å²	49	62.1 Å²	62.1	26%	0.262	31%	0.312	S	S	.	.			trans	51.4	30.5	179	-65.9	-68.9	0	0	0	114.3	F206 G207 L227 T229 D230 G231	F206-D239 HydrophobicContact CB-CB 4.36Å; F206-D239 HydrophobicContact CD2-CB 3.35Å; F206-D239 HydrophobicContact CE2-CB 3.88Å; F206-D239 HydrophobicContact CG-CB 4.13Å; G207-D239 PolarHBondContact N-O 2.94Å; L227-D239 PolarHBondContact O-N 3.05Å; T229-D239 PolarHBondContact O-N 3.21Å; D230-D239 WeakPolarHBondContact CA-OD1 3.45Å; G231-D239 WeakPolarHBondContact CA-OD2 3.34Å; G231-D239 PolarHBondContact N-OD2 3.24Å
240	A	98.9	Very high	98.2	Very high	7 Å²	7	65.7 Å²	65.7	6%	0.058	34%	0.335	C	S	.	.			trans	-89.7	150.7	178.2	0	0	0	0	0	111.8	T205 K208 V210 L227 H228 G238 V242	T205-A240 WeakPolarHBondContact O-CB 3.49Å; K208-A240 WeakPolarHBondContact O-CA 3.5Å; K208-A240 WeakPolarHBondContact O-CB 3.43Å; V210-A240 HydrophobicContact CB-CB 4.34Å; V210-A240 HydrophobicContact CG2-CB 3.47Å; V210-A240 VanDerWaalsContact CG2-CB 3.47Å; L227-A240 WeakPolarHBondContact O-CB 3.35Å; L227-A240 PolarHBondContact O-N 3.47Å; H228-A240 WeakPolarHBondContact CA-O 3.46Å; G238-A240 PolarHBondContact O-N 3.36Å; A240-V242 HydrophobicContact CB-CG2 4.14Å; A240-V242 PolarHBondContact O-N 3.2Å
241	T	98.9	Very high	98.2	Very high	89 Å²	89	68.8 Å²	68.8	55%	0.546	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	104.3	165.6	-61.6	0	0	0	0	108.7	K208 V210	K208-T241 PolarHBondContact O-N 3.3Å; V210-T241 PolarHBondContact N-O 3.2Å
242	V	98.9	Very high	98.2	Very high	33 Å²	33	73.8 Å²	73.8	20%	0.2	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.6	-173.2	-177.6	0	0	0	0	112.2	V210 V212 A224 L227 H228 A240 I244	V210-V242 HydrophobicContact CB-CG2 4.03Å; V210-V242 HydrophobicContact CG1-CG1 4.44Å; V210-V242 HydrophobicContact CG1-CG2 4.31Å; V210-V242 CarbonylContact O-C 3.32Å; V210-V242 WeakPolarHBondContact O-CA 3.41Å; V212-V242 HydrophobicContact CG2-CG1 3.96Å; A224-V242 HydrophobicContact CB-CG1 3.9Å; L227-V242 HydrophobicContact CB-CG2 3.84Å; H228-V242 HydrophobicContact CB-CB 4Å; H228-V242 HydrophobicContact CB-CG2 3.52Å; A240-V242 HydrophobicContact CB-CG2 4.14Å; A240-V242 PolarHBondContact O-N 3.2Å; V242-I244 HydrophobicContact CG1-CG1 4.32Å
243	T	98.9	Very high	98.3	Very high	46 Å²	46	69.7 Å²	69.7	28%	0.282	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.9	167.1	-58.4	0	0	0	0	109.8	V210 V211 V212 H257	V210-T243 PolarHBondContact O-N 2.91Å; V211-T243 WeakPolarHBondContact CA-O 3.39Å; V212-T243 PolarHBondContact N-O 3.28Å; T243-H257 HydrophobicContact CG2-CB 4.16Å
244	I	98.9	Very high	98.3	Very high	73 Å²	73	66 Å²	66	37%	0.374	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.8	176.1	-54.7	177.8	0	0	0	109.4	R215 A224 M225 V242	R215-I244 HydrophobicContact CB-CG2 4Å; A224-I244 HydrophobicContact CB-CD1 3.62Å; A224-I244 HydrophobicContact CB-CG1 3.88Å; M225-I244 HydrophobicContact CE-CD1 4.35Å; V242-I244 HydrophobicContact CG1-CG1 4.32Å
245	A	98.7	Very high	98.4	Very high	6 Å²	6	64.3 Å²	64.3	5%	0.05	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	157.2	172.2	0	0	0	0	0	111.5	V212 G214 T249 L254	V212-A245 PolarHBondContact O-N 3.04Å; G214-A245 PolarHBondContact N-O 3.39Å; A245-T249 HydrophobicContact CB-CG2 4.08Å; A245-L254 HydrophobicContact CB-CD1 3.63Å
246	H	98.6	Very high	98.5	Very high	63 Å²	63	67.4 Å²	67.4	29%	0.292	34%	0.335	S	S	.	.			trans	-156.4	-179.6	-174.3	55.3	47.6	0	0	0	112.2	R215 Y248 T249	R215-H246 HydrophobicContact CB-CB 4.35Å; R215-H246 HydrophobicContact CG-CB 3.71Å; R215-H246 PolarHBondContact NH1-CD2 2.91Å; R215-H246 PolarHBondContact NH1-NE2 3.3Å; H246-Y248 PolarHBondContact ND1-N 2.92Å; H246-Y248 PolarHBondContact O-N 2.85Å; H246-T249 PolarHBondContact N-OG1 2.89Å; H246-T249 PolarHBondContact ND1-N 2.97Å; H246-T249 PolarHBondContact ND1-OG1 2.97Å; H246-T249 VanDerWaalsContact O-CB 3.24Å; H246-T249 WeakPolarHBondContact O-CB 3.33Å; H246-T249 PolarHBondContact O-N 3.41Å; H246-T249 PolarHBondContact O-OG1 3.32Å
247	R	98	Very high	98.6	Very high	193 Å²	193	67.3 Å²	67.3	73%	0.728	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.9	-177.3	63.2	174.7	165.3	-99.2	3.5	116.7
248	Y	98.5	Very high	98.6	Very high	166 Å²	166	66.9 Å²	66.9	65%	0.651	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	3.4	176.1	-56.4	-58.7	0	0	0	114.3	H246 P250	H246-Y248 PolarHBondContact ND1-N 2.92Å; H246-Y248 PolarHBondContact O-N 2.85Å; Y248-P250 VanDerWaalsContact O-CD 3.27Å; Y248-P250 WeakPolarHBondContact O-CD 3.49Å
249	T	98.6	Very high	98.6	Very high	36 Å²	36	70.9 Å²	70.9	22%	0.221	34%	0.342	C	S	.	.	S	Bend	trans	-77.1	116.6	173.5	-56.7	0	0	0	0	107.4	A245 H246 Q253 L254	A245-T249 HydrophobicContact CB-CG2 4.08Å; H246-T249 PolarHBondContact N-OG1 2.89Å; H246-T249 PolarHBondContact ND1-N 2.97Å; H246-T249 PolarHBondContact ND1-OG1 2.97Å; H246-T249 VanDerWaalsContact O-CB 3.24Å; H246-T249 WeakPolarHBondContact O-CB 3.33Å; H246-T249 PolarHBondContact O-N 3.41Å; H246-T249 PolarHBondContact O-OG1 3.32Å; T249-Q253 HydrophobicContact CG2-CB 4.06Å; T249-L254 HydrophobicContact CG2-CB 4.15Å
250	P	98.6	Very high	98.6	Very high	80 Å²	80	73.5 Å²	73.5	52%	0.519	36%	0.356	S	S	.	.			trans	-58.6	146.6	176.6	-23.5	34.9	0	0	0	110.9	Y248 E252 Q253 L254	Y248-P250 VanDerWaalsContact O-CD 3.27Å; Y248-P250 WeakPolarHBondContact O-CD 3.49Å; P250-E252 PolarHBondContact O-N 3.38Å; P250-Q253 HydrophobicContact CB-CB 4.49Å; P250-Q253 HydrophobicContact CB-CG 4.26Å; P250-Q253 HydrophobicContact CG-CG 4.22Å; P250-Q253 WeakPolarHBondContact O-CB 3.4Å; P250-Q253 PolarHBondContact O-N 2.83Å; P250-L254 PolarHBondContact O-N 2.87Å
251	K	98.1	Very high	98.6	Very high	131 Å²	131	73.1 Å²	73.1	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-55.8	-39.4	-177.7	-171.7	173.1	-178.5	175.7	0	112.7	Q253 L254 K255	K251-Q253 VanDerWaalsContact C-N 3.35Å; K251-Q253 PolarHBondContact O-N 3.48Å; K251-L254 PolarHBondContact O-N 3.07Å; K251-K255 WeakPolarHBondContact O-CB 3.5Å; K251-K255 PolarHBondContact O-N 2.89Å
252	E	98.3	Very high	98.6	Very high	125 Å²	125	70.5 Å²	70.5	58%	0.584	34%	0.335	S	S	*	.	H	α-helix	trans	-62.5	-40.2	176.2	-60.6	-49.7	128.7	0	0	112.5	P250 K255 I256	P250-E252 PolarHBondContact O-N 3.38Å; E252-K255 PolarHBondContact O-N 3.43Å; E252-I256 VanDerWaalsContact O-CG1 3.3Å; E252-I256 WeakPolarHBondContact O-CG1 3.4Å; E252-I256 PolarHBondContact O-N 2.88Å
253	Q	98.8	Very high	98.6	Very high	88 Å²	88	69 Å²	69	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-68.3	-42.9	176	-67.2	-61.8	-39.7	0	0	111.2	T249 P250 K251 K255 I256 H257	T249-Q253 HydrophobicContact CG2-CB 4.06Å; P250-Q253 HydrophobicContact CB-CB 4.49Å; P250-Q253 HydrophobicContact CB-CG 4.26Å; P250-Q253 HydrophobicContact CG-CG 4.22Å; P250-Q253 WeakPolarHBondContact O-CB 3.4Å; P250-Q253 PolarHBondContact O-N 2.83Å; K251-Q253 VanDerWaalsContact C-N 3.35Å; K251-Q253 PolarHBondContact O-N 3.48Å; Q253-K255 VanDerWaalsContact C-N 3.28Å; Q253-K255 PolarHBondContact O-N 3.02Å; Q253-I256 PolarHBondContact O-N 3.45Å; Q253-H257 PolarHBondContact O-CD2 3.03Å; Q253-H257 PolarHBondContact O-N 2.86Å; Q253-H257 VanDerWaalsContact O-N 3.15Å
254	L	98.8	Very high	98.6	Very high	11 Å²	11	66.8 Å²	66.8	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-57.3	-44.3	174.4	178.2	63.1	0	0	0	111	V211 A213 A245 T249 P250 K251 H257 T258 L273 I274 M278	V211-L254 HydrophobicContact CG1-CD1 4.41Å; A213-L254 HydrophobicContact CB-CD1 4.29Å; A245-L254 HydrophobicContact CB-CD1 3.63Å; T249-L254 HydrophobicContact CG2-CB 4.15Å; P250-L254 PolarHBondContact O-N 2.87Å; K251-L254 PolarHBondContact O-N 3.07Å; L254-H257 PolarHBondContact O-N 2.99Å; L254-T258 HydrophobicContact CD1-CG2 3.94Å; L254-T258 HydrophobicContact CG-CG2 4.36Å; L254-T258 WeakPolarHBondContact O-CB 3.41Å; L254-T258 WeakPolarHBondContact O-CG2 3.34Å; L254-T258 PolarHBondContact O-N 3.25Å; L254-T258 PolarHBondContact O-OG1 3.1Å; L254-L273 HydrophobicContact CD2-CD1 3.94Å; L254-L273 HydrophobicContact CD2-CD2 4.47Å; L254-L273 HydrophobicContact CD2-CG 4.17Å; L254-I274 HydrophobicContact CD2-CD1 4.42Å; L254-M278 HydrophobicContact CB-CE 4.33Å; L254-M278 HydrophobicContact CD2-CE 3.72Å; L254-M278 HydrophobicContact CG-CE 3.57Å
255	K	98.7	Very high	98.6	Very high	58 Å²	58	63.3 Å²	63.3	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-47.1	177.3	178	169.1	174.5	170.7	0	112.4	K251 E252 Q253 H257 T258 Q259 D277 M278	K251-K255 WeakPolarHBondContact O-CB 3.5Å; K251-K255 PolarHBondContact O-N 2.89Å; E252-K255 PolarHBondContact O-N 3.43Å; Q253-K255 VanDerWaalsContact C-N 3.28Å; Q253-K255 PolarHBondContact O-N 3.02Å; K255-H257 VanDerWaalsContact C-N 3.33Å; K255-H257 PolarHBondContact O-N 3.47Å; K255-T258 VanDerWaalsContact CA-OG1 3.32Å; K255-T258 WeakPolarHBondContact CA-OG1 3.32Å; K255-T258 PolarHBondContact O-N 3.44Å; K255-T258 PolarHBondContact O-OG1 2.75Å; K255-T258 VanDerWaalsContact O-OG1 3.06Å; K255-Q259 HydrophobicContact CG-CG 4.3Å; K255-Q259 WeakPolarHBondContact O-CB 3.46Å; K255-Q259 VanDerWaalsContact O-CG 3.27Å; K255-Q259 WeakPolarHBondContact O-CG 3.48Å; K255-Q259 PolarHBondContact O-N 2.88Å; K255-D277 VanDerWaalsContact CE-OD2 3.22Å; K255-D277 WeakPolarHBondContact CE-OD2 3.3Å; K255-D277 IonicContact NZ-OD2 3Å; K255-D277 PolarHBondContact NZ-OD2 3.48Å; K255-M278 HydrophobicContact CB-CE 4.39Å; K255-M278 HydrophobicContact CB-CG 4.21Å; K255-M278 HydrophobicContact CD-CG 4.39Å; K255-M278 HydrophobicContact CG-CG 4.06Å
256	I	98.6	Very high	98.6	Very high	80 Å²	80	63 Å²	63	41%	0.41	29%	0.292	S	S	.	.	H	α-helix	trans	-55.2	-49.9	178	-70.5	163.2	0	0	0	110.7	E252 Q253 L260	E252-I256 VanDerWaalsContact O-CG1 3.3Å; E252-I256 WeakPolarHBondContact O-CG1 3.4Å; E252-I256 PolarHBondContact O-N 2.88Å; Q253-I256 PolarHBondContact O-N 3.45Å; I256-L260 WeakPolarHBondContact O-CG 3.48Å
257	H	98.8	Very high	98.5	Very high	69 Å²	69	60.9 Å²	60.9	32%	0.319	29%	0.285	S	S	.	.	H	α-helix	trans	-70	-39.1	-177.8	-69.9	-69	0	0	0	112.9	V211 T243 Q253 L254 K255 Q259 L260 A261	V211-H257 HydrophobicContact CG2-CB 3.91Å; V211-H257 WeakPolarHBondContact CG2-O 3.36Å; T243-H257 HydrophobicContact CG2-CB 4.16Å; Q253-H257 PolarHBondContact O-CD2 3.03Å; Q253-H257 PolarHBondContact O-N 2.86Å; Q253-H257 VanDerWaalsContact O-N 3.15Å; L254-H257 PolarHBondContact O-N 2.99Å; K255-H257 VanDerWaalsContact C-N 3.33Å; K255-H257 PolarHBondContact O-N 3.47Å; H257-Q259 VanDerWaalsContact C-N 3.33Å; H257-Q259 PolarHBondContact O-N 3.07Å; H257-L260 PolarHBondContact O-N 3.32Å; H257-A261 PolarHBondContact O-N 3.18Å
258	T	98.8	Very high	98.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.2	-31.5	178.8	46.4	0	0	0	0	112.7	V211 L254 K255 L260 A261 I264 I274 M278	V211-T258 HydrophobicContact CB-CG2 4.21Å; V211-T258 HydrophobicContact CG1-CG2 3.82Å; V211-T258 HydrophobicContact CG2-CG2 4.37Å; L254-T258 HydrophobicContact CD1-CG2 3.94Å; L254-T258 HydrophobicContact CG-CG2 4.36Å; L254-T258 WeakPolarHBondContact O-CB 3.41Å; L254-T258 WeakPolarHBondContact O-CG2 3.34Å; L254-T258 PolarHBondContact O-N 3.25Å; L254-T258 PolarHBondContact O-OG1 3.1Å; K255-T258 VanDerWaalsContact CA-OG1 3.32Å; K255-T258 WeakPolarHBondContact CA-OG1 3.32Å; K255-T258 PolarHBondContact O-N 3.44Å; K255-T258 PolarHBondContact O-OG1 2.75Å; K255-T258 VanDerWaalsContact O-OG1 3.06Å; T258-L260 PolarHBondContact O-N 3.17Å; T258-A261 WeakPolarHBondContact O-CB 2.81Å; T258-A261 PolarHBondContact O-N 3.38Å; T258-I264 HydrophobicContact CG2-CD1 4.2Å; T258-I264 HydrophobicContact CG2-CG1 4.34Å; T258-I264 HydrophobicContact CG2-CG2 4.32Å; T258-I274 HydrophobicContact CG2-CD1 4.25Å; T258-M278 CarbonylContact C-O 3.55Å; T258-M278 WeakPolarHBondContact CB-O 3.46Å; T258-M278 HydrophobicContact CG2-CE 4.45Å; T258-M278 PolarHBondContact OG1-O 2.98Å
259	Q	98.4	Very high	98.4	Very high	86 Å²	86	47.7 Å²	47.7	40%	0.402	26%	0.256	S	S	.	.	H	α-helix	trans	-68.7	-21.6	174.2	-74.9	-178.2	-29.4	0	0	113.4	K255 H257 D277 M278	K255-Q259 HydrophobicContact CG-CG 4.3Å; K255-Q259 WeakPolarHBondContact O-CB 3.46Å; K255-Q259 VanDerWaalsContact O-CG 3.27Å; K255-Q259 WeakPolarHBondContact O-CG 3.48Å; K255-Q259 PolarHBondContact O-N 2.88Å; H257-Q259 VanDerWaalsContact C-N 3.33Å; H257-Q259 PolarHBondContact O-N 3.07Å; Q259-D277 PolarHBondContact NE2-O 3.17Å; Q259-M278 WeakPolarHBondContact CA-O 3.34Å; Q259-M278 PolarHBondContact N-O 3.46Å; Q259-M278 VanDerWaalsContact N-O 3.15Å
260	L	98.3	Very high	98.3	Very high	103 Å²	103	50.1 Å²	50.1	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-91.2	-11.7	175.4	-62	173.6	0	0	0	112.8	N209 I256 H257 T258	N209-L260 WeakPolarHBondContact CB-O 3.43Å; N209-L260 PolarHBondContact ND2-O 2.89Å; N209-L260 VanDerWaalsContact ND2-O 3.1Å; I256-L260 WeakPolarHBondContact O-CG 3.48Å; H257-L260 PolarHBondContact O-N 3.32Å; T258-L260 PolarHBondContact O-N 3.17Å
261	A	98.8	Very high	98.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.			trans	-78.8	133.6	-171.7	0	0	0	0	0	112.2	V211 H257 T258 I264	V211-A261 HydrophobicContact CB-CB 4.26Å; V211-A261 HydrophobicContact CG2-CB 3.85Å; H257-A261 PolarHBondContact O-N 3.18Å; T258-A261 WeakPolarHBondContact O-CB 2.81Å; T258-A261 PolarHBondContact O-N 3.38Å; A261-I264 HydrophobicContact CB-CD1 4.49Å; A261-I264 HydrophobicContact CB-CG1 3.73Å
262	D	98.9	Very high	98.2	Very high	33 Å²	33	47.1 Å²	47.1	18%	0.176	26%	0.256	C	S	.	.	S	Bend	trans	-79.7	-29.9	165.3	-59.3	-64.9	0	0	0	111	K208 N209 K280 A283 A284	K208-D262 HydrophobicContact CB-CB 4Å; K208-D262 HydrophobicContact CD-CB 4.28Å; K208-D262 HydrophobicContact CG-CB 4.38Å; N209-D262 PolarHBondContact N-OD2 3.03Å; N209-D262 PolarHBondContact O-N 3Å; D262-K280 IonicContact OD1-NZ 3.19Å; D262-K280 PolarHBondContact OD1-NZ 2.72Å; D262-A283 CarbonylContact O-C 3.54Å; D262-A283 WeakPolarHBondContact O-CA 3.15Å; D262-A284 PolarHBondContact O-N 2.79Å
263	I	98.9	Very high	98.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.3	176.9	-46.5	177.2	0	0	0	109.4	I203 T205 N209 V210 V211 I265 A284	I203-I263 HydrophobicContact CG2-CD1 3.68Å; I203-I263 HydrophobicContact CG2-CG1 4.08Å; T205-I263 HydrophobicContact CG2-CD1 4Å; N209-I263 PolarHBondContact O-N 2.75Å; N209-I263 VanDerWaalsContact O-N 3.14Å; V210-I263 CarbonylContact C-O 3.58Å; V210-I263 VanDerWaalsContact CA-O 3.31Å; V210-I263 WeakPolarHBondContact CA-O 3.16Å; V210-I263 HydrophobicContact CG2-CB 4.09Å; V210-I263 HydrophobicContact CG2-CD1 4.16Å; V210-I263 HydrophobicContact CG2-CG1 4.38Å; V211-I263 PolarHBondContact N-O 3.43Å; I263-I265 HydrophobicContact CG2-CD1 4.37Å; I263-I265 HydrophobicContact CG2-CG1 4.1Å; I263-A284 CarbonylContact C-O 3.53Å; I263-A284 WeakPolarHBondContact CA-O 3.4Å; I263-A284 HydrophobicContact CG1-CB 4.41Å; I263-A284 HydrophobicContact CG2-CB 4.3Å
264	I	98.9	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.4	172.7	-59.6	167.3	0	0	0	107.7	T258 A261 I274 V279 A284 V285 I286	T258-I264 HydrophobicContact CG2-CD1 4.2Å; T258-I264 HydrophobicContact CG2-CG1 4.34Å; T258-I264 HydrophobicContact CG2-CG2 4.32Å; A261-I264 HydrophobicContact CB-CD1 4.49Å; A261-I264 HydrophobicContact CB-CG1 3.73Å; I264-I274 HydrophobicContact CG2-CD1 4.35Å; I264-I274 HydrophobicContact CG2-CG1 4.37Å; I264-V279 HydrophobicContact CD1-CB 4.38Å; I264-V279 HydrophobicContact CD1-CG1 4.38Å; I264-V279 HydrophobicContact CD1-CG2 3.92Å; I264-A284 PolarHBondContact N-O 2.87Å; I264-V285 HydrophobicContact CB-CG2 4.48Å; I264-V285 CarbonylContact O-C 3.38Å; I264-V285 WeakPolarHBondContact O-CA 3.09Å; I264-I286 PolarHBondContact O-N 2.89Å
265	I	98.9	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.3	173.1	-57.8	161.1	0	0	0	107.4	V194 I198 V210 V211 V212 A213 I223 L227 I263 I286 V288	V194-I265 HydrophobicContact CG1-CD1 3.82Å; V194-I265 HydrophobicContact CG1-CG1 4.28Å; V194-I265 HydrophobicContact CG1-CG2 4.37Å; I198-I265 HydrophobicContact CD1-CD1 4.44Å; V210-I265 HydrophobicContact CG1-CD1 4.24Å; V211-I265 PolarHBondContact O-N 3.46Å; V212-I265 CarbonylContact C-O 3.21Å; V212-I265 WeakPolarHBondContact CA-O 3.2Å; V212-I265 HydrophobicContact CG2-CB 4.5Å; V212-I265 HydrophobicContact CG2-CD1 4.42Å; A213-I265 PolarHBondContact N-O 3.41Å; I223-I265 HydrophobicContact CD1-CG2 4.09Å; I223-I265 HydrophobicContact CG2-CB 4.46Å; I223-I265 HydrophobicContact CG2-CD1 3.53Å; I223-I265 HydrophobicContact CG2-CG2 4.08Å; L227-I265 HydrophobicContact CD1-CD1 3.15Å; I263-I265 HydrophobicContact CG2-CD1 4.37Å; I263-I265 HydrophobicContact CG2-CG1 4.1Å; I265-I286 WeakPolarHBondContact CA-O 3.5Å; I265-I286 HydrophobicContact CG1-CB 4.17Å; I265-I286 HydrophobicContact CG1-CD1 4.42Å; I265-V288 HydrophobicContact CG2-CG2 3.76Å
266	V	98.5	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.2	-177.9	62.3	0	0	0	0	110.7	A213 A268 L273 I274 I286 D287 V288 G289 D306 V307	A213-V266 HydrophobicContact CB-CB 4.32Å; A213-V266 HydrophobicContact CB-CG2 4.01Å; V266-A268 HydrophobicContact CG2-CB 4.37Å; V266-L273 HydrophobicContact CG2-CD2 4.06Å; V266-I274 HydrophobicContact CB-CG1 3.97Å; V266-I274 HydrophobicContact CG1-CG1 4.24Å; V266-I274 HydrophobicContact CG2-CG1 3.91Å; V266-I286 PolarHBondContact N-O 2.82Å; V266-D287 HydrophobicContact CG1-CB 4.25Å; V266-V288 WeakPolarHBondContact O-CA 3.33Å; V266-V288 VanDerWaalsContact O-CB 3.24Å; V266-V288 WeakPolarHBondContact O-CB 3.1Å; V266-V288 PolarHBondContact O-N 3.11Å; V266-G289 PolarHBondContact O-N 2.82Å; V266-D306 HydrophobicContact CB-CB 4.22Å; V266-D306 HydrophobicContact CG1-CB 3.81Å; V266-D306 HydrophobicContact CG2-CB 3.38Å; V266-V307 HydrophobicContact CG1-CG2 3.48Å; V266-V307 VanDerWaalsContact CG1-CG2 3.48Å
267	A	97.4	Very high	98.1	Very high	18 Å²	18	37.9 Å²	37.9	15%	0.149	22%	0.22	C	C	.	.			trans	-145.4	47.6	-175.2	0	0	0	0	0	109.6	A213 V219 V288	A213-A267 CarbonylContact O-C 3.59Å; A213-A267 PolarHBondContact O-N 3.01Å; V219-A267 HydrophobicContact CG1-CB 3.72Å; A267-V288 HydrophobicContact CB-CB 3.87Å; A267-V288 HydrophobicContact CB-CG1 4.25Å; A267-V288 HydrophobicContact CB-CG2 4.35Å
268	A	96.9	Very high	98.1	Very high	42 Å²	42	34.6 Å²	34.6	35%	0.347	21%	0.205	S	C	.	.	S	Bend	trans	-101.4	-24.5	-172.4	0	0	0	0	0	113	A213 V266 I270 L273 D306	A213-A268 PolarHBondContact O-N 3.09Å; V266-A268 HydrophobicContact CG2-CB 4.37Å; A268-I270 HydrophobicContact CB-CD1 4.42Å; A268-I270 HydrophobicContact CB-CG1 4.34Å; A268-L273 HydrophobicContact CB-CD2 3.5Å; A268-L273 VanDerWaalsContact CB-CD2 3.5Å; A268-D306 WeakPolarHBondContact CA-OD2 3.4Å; A268-D306 PolarHBondContact N-OD2 2.96Å
269	G	95.9	Very high	98	Very high	40 Å²	40	34.6 Å²	34.6	41%	0.412	21%	0.205	S	C	.	.			trans	69.7	43.5	-174.2	0	0	0	0	0	111.7	N291 D306	G269-N291 WeakPolarHBondContact CA-OD1 3.46Å; G269-N291 PolarHBondContact O-OD1 2.77Å; G269-D306 VanDerWaalsContact CA-OD1 3.28Å; G269-D306 WeakPolarHBondContact CA-OD1 3.47Å; G269-D306 PolarHBondContact N-OD1 2.98Å; G269-D306 PolarHBondContact N-OD2 3.13Å
270	I	97.4	Very high	98	Very high	87 Å²	87	34.5 Å²	34.5	45%	0.446	20%	0.203	S	C	.	.			trans	-134.6	107.7	180	-58.4	177.5	0	0	0	107.9	A268 N272 L273 D306	A268-I270 HydrophobicContact CB-CD1 4.42Å; A268-I270 HydrophobicContact CB-CG1 4.34Å; I270-N272 PolarHBondContact O-N 3.08Å; I270-L273 HydrophobicContact CB-CB 4.09Å; I270-L273 HydrophobicContact CB-CD2 4.39Å; I270-L273 HydrophobicContact CG2-CB 4.11Å; I270-L273 HydrophobicContact CG2-CD1 4.49Å; I270-L273 WeakPolarHBondContact O-CB 3.48Å; I270-L273 PolarHBondContact O-N 2.93Å; I270-D306 PolarHBondContact N-OD1 3.42Å; I270-D306 VanDerWaalsContact O-CA 3.26Å; I270-D306 WeakPolarHBondContact O-CA 3.35Å; I270-D306 WeakPolarHBondContact O-CB 3.4Å
271	P	97.3	Very high	97.9	Very high	52 Å²	52	37.1 Å²	37.1	34%	0.338	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	137.7	177.1	-24.8	33.1	0	0	0	112.4	L273 N291 V293 V304	P271-L273 PolarHBondContact O-N 2.97Å; P271-N291 HydrophobicContact CG-CB 3.64Å; P271-V293 HydrophobicContact CG-CG1 4.1Å; P271-V304 HydrophobicContact CB-CG2 4.33Å; P271-V304 HydrophobicContact CG-CG2 4.36Å
272	N	96.4	Very high	97.9	Very high	97 Å²	97	39.3 Å²	39.3	52%	0.519	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	29.5	177.8	-53.4	-47.9	0	0	0	114.4	I270 D306	I270-N272 PolarHBondContact O-N 3.08Å; N272-D306 CarbonylContact C-O 3.03Å; N272-D306 PolarHBondContact N-O 3.07Å
273	L	98.4	Very high	97.8	Very high	33 Å²	33	37.9 Å²	37.9	17%	0.173	23%	0.228	C	C	.	.			trans	-64.4	-42.2	173.7	178.1	62.3	0	0	0	111.7	L254 V266 A268 I270 P271 M278 D306	L254-L273 HydrophobicContact CD2-CD1 3.94Å; L254-L273 HydrophobicContact CD2-CD2 4.47Å; L254-L273 HydrophobicContact CD2-CG 4.17Å; V266-L273 HydrophobicContact CG2-CD2 4.06Å; A268-L273 HydrophobicContact CB-CD2 3.5Å; A268-L273 VanDerWaalsContact CB-CD2 3.5Å; I270-L273 HydrophobicContact CB-CB 4.09Å; I270-L273 HydrophobicContact CB-CD2 4.39Å; I270-L273 HydrophobicContact CG2-CB 4.11Å; I270-L273 HydrophobicContact CG2-CD1 4.49Å; I270-L273 WeakPolarHBondContact O-CB 3.48Å; I270-L273 PolarHBondContact O-N 2.93Å; P271-L273 PolarHBondContact O-N 2.97Å; L273-M278 VanDerWaalsContact O-SD 3.4Å; L273-D306 PolarHBondContact N-O 3.32Å
274	I	98.6	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-100.4	116.2	178.4	-55.1	-59.3	0	0	0	109.4	L254 T258 I264 V266 M278 V279 D306 V307 D308	L254-I274 HydrophobicContact CD2-CD1 4.42Å; T258-I274 HydrophobicContact CG2-CD1 4.25Å; I264-I274 HydrophobicContact CG2-CD1 4.35Å; I264-I274 HydrophobicContact CG2-CG1 4.37Å; V266-I274 HydrophobicContact CB-CG1 3.97Å; V266-I274 HydrophobicContact CG1-CG1 4.24Å; V266-I274 HydrophobicContact CG2-CG1 3.91Å; I274-M278 HydrophobicContact CD1-CE 3.94Å; I274-V279 HydrophobicContact CG2-CG2 3.71Å; I274-D306 PolarHBondContact N-O 3.08Å; I274-D306 VanDerWaalsContact N-O 3.16Å; I274-V307 HydrophobicContact CB-CG1 4.5Å; I274-V307 HydrophobicContact CB-CG2 4.2Å; I274-D308 PolarHBondContact O-N 2.72Å
275	T	98.6	Very high	97.8	Very high	27 Å²	27	38.1 Å²	38.1	17%	0.166	23%	0.23	C	C	.	.			trans	-112.3	164.4	-178.8	51.9	0	0	0	0	112	D277 M278 D308	T275-D277 WeakPolarHBondContact CB-OD1 3.48Å; T275-D277 PolarHBondContact O-N 2.95Å; T275-D277 VanDerWaalsContact O-N 3.16Å; T275-D277 PolarHBondContact OG1-OD1 3.06Å; T275-M278 WeakPolarHBondContact O-CB 3.31Å; T275-M278 PolarHBondContact O-N 3.13Å; T275-D308 HydrophobicContact CG2-CB 4.44Å
276	S	97.5	Very high	97.8	Very high	35 Å²	35	38.1 Å²	38.1	25%	0.245	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.1	-30.6	-174.8	-165.3	0	0	0	0	114.4	M278 V279 A311 K315	S276-M278 VanDerWaalsContact C-N 3.25Å; S276-M278 PolarHBondContact O-N 2.95Å; S276-V279 PolarHBondContact O-N 3.32Å; S276-A311 PolarHBondContact OG-O 3Å; S276-A311 VanDerWaalsContact OG-O 3.06Å; S276-K315 WeakPolarHBondContact O-CD 3.45Å; S276-K315 PolarHBondContact O-NZ 2.92Å
277	D	97.9	Very high	97.8	Very high	73 Å²	73	38.2 Å²	38.2	39%	0.39	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-73.3	-16.1	177.1	68.3	-61.7	0	0	0	113.6	K255 Q259 T275	K255-D277 VanDerWaalsContact CE-OD2 3.22Å; K255-D277 WeakPolarHBondContact CE-OD2 3.3Å; K255-D277 IonicContact NZ-OD2 3Å; K255-D277 PolarHBondContact NZ-OD2 3.48Å; Q259-D277 PolarHBondContact NE2-O 3.17Å; T275-D277 WeakPolarHBondContact CB-OD1 3.48Å; T275-D277 PolarHBondContact O-N 2.95Å; T275-D277 VanDerWaalsContact O-N 3.16Å; T275-D277 PolarHBondContact OG1-OD1 3.06Å
278	M	98.6	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-89.8	-16.9	177.5	-61.3	176.1	67	0	0	113	L254 K255 T258 Q259 L273 I274 T275 S276	L254-M278 HydrophobicContact CB-CE 4.33Å; L254-M278 HydrophobicContact CD2-CE 3.72Å; L254-M278 HydrophobicContact CG-CE 3.57Å; K255-M278 HydrophobicContact CB-CE 4.39Å; K255-M278 HydrophobicContact CB-CG 4.21Å; K255-M278 HydrophobicContact CD-CG 4.39Å; K255-M278 HydrophobicContact CG-CG 4.06Å; T258-M278 CarbonylContact C-O 3.55Å; T258-M278 WeakPolarHBondContact CB-O 3.46Å; T258-M278 HydrophobicContact CG2-CE 4.45Å; T258-M278 PolarHBondContact OG1-O 2.98Å; Q259-M278 WeakPolarHBondContact CA-O 3.34Å; Q259-M278 PolarHBondContact N-O 3.46Å; Q259-M278 VanDerWaalsContact N-O 3.15Å; L273-M278 VanDerWaalsContact O-SD 3.4Å; I274-M278 HydrophobicContact CD1-CE 3.94Å; T275-M278 WeakPolarHBondContact O-CB 3.31Å; T275-M278 PolarHBondContact O-N 3.13Å; S276-M278 VanDerWaalsContact C-N 3.25Å; S276-M278 PolarHBondContact O-N 2.95Å
279	V	98.4	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-96.4	131.4	-172.5	179.6	0	0	0	0	110.4	I264 I274 S276 A283 V285 V312 K315 A316	I264-V279 HydrophobicContact CD1-CB 4.38Å; I264-V279 HydrophobicContact CD1-CG1 4.38Å; I264-V279 HydrophobicContact CD1-CG2 3.92Å; I274-V279 HydrophobicContact CG2-CG2 3.71Å; S276-V279 PolarHBondContact O-N 3.32Å; V279-A283 HydrophobicContact CG1-CB 4.08Å; V279-V285 HydrophobicContact CG1-CG2 3.84Å; V279-V285 HydrophobicContact CG2-CG2 4.24Å; V279-V312 HydrophobicContact CB-CG1 4.41Å; V279-V312 HydrophobicContact CG1-CG1 4.26Å; V279-V312 HydrophobicContact CG2-CG1 3.84Å; V279-V312 HydrophobicContact CG2-CG2 4.03Å; V279-K315 WeakPolarHBondContact O-CD 3.46Å; V279-K315 WeakPolarHBondContact O-CE 3.49Å; V279-K315 PolarHBondContact O-NZ 2.86Å; V279-A316 HydrophobicContact CG1-CB 4.35Å
280	K	96.7	Very high	97.6	Very high	83 Å²	83	38 Å²	38	36%	0.361	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-68.1	144.6	170	169	-176.1	169.6	-176.2	0	110.9	D262 G282 A283	D262-K280 IonicContact OD1-NZ 3.19Å; D262-K280 PolarHBondContact OD1-NZ 2.72Å; K280-G282 PolarHBondContact O-N 2.92Å; K280-A283 HydrophobicContact CB-CB 4.14Å; K280-A283 VanDerWaalsContact O-CB 3.25Å; K280-A283 WeakPolarHBondContact O-CB 3.32Å; K280-A283 PolarHBondContact O-N 2.93Å; K280-A283 VanDerWaalsContact O-N 3.14Å
281	E	97.6	Very high	97.3	Very high	158 Å²	158	34.8 Å²	34.8	74%	0.738	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	130.4	174	-172.8	170.4	-172.7	0	0	111.2	A283 K315	E281-A283 VanDerWaalsContact C-N 3.27Å; E281-A283 PolarHBondContact O-N 3.26Å; E281-K315 WeakPolarHBondContact CA-O 3.39Å; E281-K315 HydrophobicContact CB-CG 4.46Å
282	G	97.2	Very high	96.9	Very high	47 Å²	47	38.1 Å²	38.1	49%	0.485	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-1.2	-177.6	0	0	0	0	0	115.4	K280 K315 G317	K280-G282 PolarHBondContact O-N 2.92Å; G282-K315 PolarHBondContact N-O 3.05Å; G282-G317 VanDerWaalsContact C-N 3.28Å; G282-G317 PolarHBondContact O-N 2.82Å
283	A	98.5	Very high	96.5	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.025	19%	0.192	C	C	.	.			trans	-64.4	153.2	178.1	0	0	0	0	0	112.5	D262 V279 K280 E281 A316 G317 F318	D262-A283 CarbonylContact O-C 3.54Å; D262-A283 WeakPolarHBondContact O-CA 3.15Å; V279-A283 HydrophobicContact CG1-CB 4.08Å; K280-A283 HydrophobicContact CB-CB 4.14Å; K280-A283 VanDerWaalsContact O-CB 3.25Å; K280-A283 WeakPolarHBondContact O-CB 3.32Å; K280-A283 PolarHBondContact O-N 2.93Å; K280-A283 VanDerWaalsContact O-N 3.14Å; E281-A283 VanDerWaalsContact C-N 3.27Å; E281-A283 PolarHBondContact O-N 3.26Å; A283-A316 CarbonylContact O-C 3.59Å; A283-A316 WeakPolarHBondContact O-CA 3.2Å; A283-A316 WeakPolarHBondContact O-CB 3.32Å; A283-G317 PolarHBondContact O-N 3.04Å; A283-F318 PolarHBondContact O-N 3.41Å
284	A	98.8	Very high	96.1	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.2	169.5	0	0	0	0	0	110.4	I203 D262 I263 I264 F318	I203-A284 HydrophobicContact CD1-CB 3.84Å; I203-A284 HydrophobicContact CG1-CB 4.46Å; I203-A284 HydrophobicContact CG2-CB 4.14Å; D262-A284 PolarHBondContact O-N 2.79Å; I263-A284 CarbonylContact C-O 3.53Å; I263-A284 WeakPolarHBondContact CA-O 3.4Å; I263-A284 HydrophobicContact CG1-CB 4.41Å; I263-A284 HydrophobicContact CG2-CB 4.3Å; I264-A284 PolarHBondContact N-O 2.87Å; A284-F318 HydrophobicContact CB-CB 4.05Å; A284-F318 HydrophobicContact CB-CD2 4.38Å
285	V	98.8	Very high	95.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.4	179.3	-175.5	0	0	0	0	110	I264 V279 V307 V312 A316 F318 I319 T320	I264-V285 HydrophobicContact CB-CG2 4.48Å; I264-V285 CarbonylContact O-C 3.38Å; I264-V285 WeakPolarHBondContact O-CA 3.09Å; V279-V285 HydrophobicContact CG1-CG2 3.84Å; V279-V285 HydrophobicContact CG2-CG2 4.24Å; V285-V307 HydrophobicContact CG1-CG1 4.17Å; V285-V307 HydrophobicContact CG1-CG2 3.73Å; V285-V312 HydrophobicContact CB-CG1 4.37Å; V285-V312 HydrophobicContact CG1-CG1 4.44Å; V285-V312 HydrophobicContact CG2-CG1 3.9Å; V285-A316 HydrophobicContact CG2-CB 4.03Å; V285-F318 PolarHBondContact N-O 3.08Å; V285-I319 HydrophobicContact CB-CG1 4.3Å; V285-I319 VanDerWaalsContact O-CA 3.3Å; V285-I319 WeakPolarHBondContact O-CA 3.16Å; V285-T320 PolarHBondContact O-N 3.17Å
286	I	98.9	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.1	-179.9	-57.6	175.9	0	0	0	108.6	V194 I197 I198 I264 I265 V266 V288 T320 V326	V194-I286 HydrophobicContact CG1-CD1 4.08Å; V194-I286 HydrophobicContact CG1-CG2 4.25Å; V194-I286 HydrophobicContact CG2-CG2 4.05Å; I197-I286 HydrophobicContact CG2-CD1 4.12Å; I198-I286 HydrophobicContact CD1-CD1 3.84Å; I198-I286 HydrophobicContact CG1-CD1 3.45Å; I198-I286 VanDerWaalsContact CG1-CD1 3.45Å; I264-I286 PolarHBondContact O-N 2.89Å; I265-I286 WeakPolarHBondContact CA-O 3.5Å; I265-I286 HydrophobicContact CG1-CB 4.17Å; I265-I286 HydrophobicContact CG1-CD1 4.42Å; V266-I286 PolarHBondContact N-O 2.82Å; I286-V288 HydrophobicContact CG2-CG2 4.33Å; I286-T320 WeakPolarHBondContact CA-OG1 3.44Å; I286-T320 HydrophobicContact CB-CG2 4.48Å; I286-T320 HydrophobicContact CG1-CG2 4.32Å; I286-T320 HydrophobicContact CG2-CG2 4.16Å; I286-V326 HydrophobicContact CG2-CG2 3.67Å
287	D	98.7	Very high	93.7	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.5	-179.7	-164.1	-13.1	0	0	0	110.3	V266 G289 G305 D306 V307 T320 V322 V326	V266-D287 HydrophobicContact CG1-CB 4.25Å; D287-G289 PolarHBondContact OD1-N 2.81Å; D287-G305 VanDerWaalsContact OD2-CA 3.24Å; D287-G305 WeakPolarHBondContact OD2-CA 3.33Å; D287-D306 VanDerWaalsContact CG-N 3.32Å; D287-D306 PolarHBondContact OD1-N 3.21Å; D287-D306 PolarHBondContact OD2-N 3.23Å; D287-V307 HydrophobicContact CB-CB 4.48Å; D287-V307 HydrophobicContact CB-CG2 3.76Å; D287-V307 WeakPolarHBondContact OD2-CB 3.39Å; D287-V307 WeakPolarHBondContact OD2-CG2 3.47Å; D287-V307 PolarHBondContact OD2-N 3.12Å; D287-T320 PolarHBondContact N-OG1 3.32Å; D287-V322 HydrophobicContact CB-CG2 3.87Å; D287-V326 WeakPolarHBondContact O-CG2 3.46Å
288	V	98.3	Very high	93	Very high	18 Å²	18	53.1 Å²	53.1	11%	0.109	29%	0.286	C	S	.	.			trans	-95.5	-11.8	176.1	-166.7	0	0	0	0	110.6	T190 V194 V219 I223 I265 V266 A267 I286 V326	T190-V288 HydrophobicContact CG2-CG1 3.4Å; T190-V288 VanDerWaalsContact CG2-CG1 3.4Å; V194-V288 HydrophobicContact CG2-CG2 3.79Å; V219-V288 HydrophobicContact CG1-CG1 3.75Å; I223-V288 HydrophobicContact CD1-CG2 4.38Å; I265-V288 HydrophobicContact CG2-CG2 3.76Å; V266-V288 WeakPolarHBondContact O-CA 3.33Å; V266-V288 VanDerWaalsContact O-CB 3.24Å; V266-V288 WeakPolarHBondContact O-CB 3.1Å; V266-V288 PolarHBondContact O-N 3.11Å; A267-V288 HydrophobicContact CB-CB 3.87Å; A267-V288 HydrophobicContact CB-CG1 4.25Å; A267-V288 HydrophobicContact CB-CG2 4.35Å; I286-V288 HydrophobicContact CG2-CG2 4.33Å; V288-V326 HydrophobicContact CG1-CG1 4.1Å; V288-V326 HydrophobicContact CG2-CG1 4.48Å; V288-V326 HydrophobicContact CG2-CG2 4.17Å
289	G	94	Very high	92.3	Very high	4 Å²	4	55.1 Å²	55.1	4%	0.041	31%	0.306	C	S	.	.			trans	-61.1	144.4	-177.5	0	0	0	0	0	112.6	V266 D287 D306	V266-G289 PolarHBondContact O-N 2.82Å; D287-G289 PolarHBondContact OD1-N 2.81Å; G289-D306 WeakPolarHBondContact CA-OD2 3.44Å
290	I	92.1	Very high	91.6	Very high	74 Å²	74	60.2 Å²	60.2	38%	0.379	33%	0.334	S	S	.	.			trans	-136.8	110.1	177.9	-62.3	-176.4	0	0	0	106.8	Y98 Y292 L303	Y98-I290 WeakPolarHBondContact OH-CD1 3.14Å; Y98-I290 WeakPolarHBondContact OH-CG2 3.43Å; I290-Y292 HydrophobicContact CG2-CE2 4.22Å; I290-L303 HydrophobicContact CB-CD1 4.18Å; I290-L303 HydrophobicContact CG2-CD1 3.41Å; I290-L303 VanDerWaalsContact CG2-CD1 3.41Å
291	N	92.2	Very high	91.1	Very high	19 Å²	19	60.6 Å²	60.6	10%	0.102	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.4	-179.2	-54.9	-69.2	0	0	0	110	G269 P271 L303 V304 G305 D306	G269-N291 WeakPolarHBondContact CA-OD1 3.46Å; G269-N291 PolarHBondContact O-OD1 2.77Å; P271-N291 HydrophobicContact CG-CB 3.64Å; N291-L303 WeakPolarHBondContact O-CA 3.48Å; N291-V304 HydrophobicContact CB-CG2 3.89Å; N291-V304 WeakPolarHBondContact CB-O 3.05Å; N291-V304 PolarHBondContact N-O 3.45Å; N291-V304 PolarHBondContact O-N 2.76Å; N291-G305 PolarHBondContact ND2-O 2.89Å; N291-D306 PolarHBondContact ND2-OD1 3.26Å
292	Y	89.4	Confident	90.7	Very high	121 Å²	121	59.1 Å²	59.1	48%	0.475	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.9	173.5	-70.5	-81.4	0	0	0	108.7	A94 I290 T301 K302 L303	A94-Y292 HydrophobicContact CB-CE2 4.04Å; I290-Y292 HydrophobicContact CG2-CE2 4.22Å; Y292-T301 HydrophobicContact CD1-CG2 3.74Å; Y292-T301 HydrophobicContact CG-CG2 4.13Å; Y292-K302 WeakPolarHBondContact CA-O 3.19Å; Y292-L303 HydrophobicContact CE1-CB 4.5Å
293	V	88.1	Confident	90.5	Very high	49 Å²	49	58.9 Å²	58.9	30%	0.297	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.5	178.4	-63.4	0	0	0	0	109.7	P271 T301 K302 V304	P271-V293 HydrophobicContact CG-CG1 4.1Å; V293-T301 CarbonylContact O-C 3.59Å; V293-T301 WeakPolarHBondContact O-CA 3.33Å; V293-K302 HydrophobicContact CG2-CB 4.12Å; V293-K302 PolarHBondContact N-O 2.94Å; V293-K302 PolarHBondContact O-N 3.24Å; V293-V304 HydrophobicContact CB-CG2 4.36Å; V293-V304 HydrophobicContact CG1-CG2 3.65Å; V293-V304 HydrophobicContact CG2-CB 4.4Å; V293-V304 HydrophobicContact CG2-CG1 3.7Å; V293-V304 HydrophobicContact CG2-CG2 3.76Å
294	H	89	Confident	90.3	Very high	127 Å²	127	60.2 Å²	60.2	59%	0.588	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.2	174.9	-167.7	68.7	0	0	0	109.2	P296 G299	H294-P296 VanDerWaalsContact O-CD 3.27Å; H294-P296 WeakPolarHBondContact O-CD 3.47Å; H294-G299 PolarHBondContact CE1-O 3.47Å
295	D	82.5	Confident	90.3	Very high	45 Å²	45	60.3 Å²	60.3	24%	0.241	33%	0.331	C	S	.	.			trans	-83.1	110	173.4	180	-7.2	0	0	0	109.1	L297 T298 G299 N300	D295-L297 PolarHBondContact O-N 2.87Å; D295-L297 WeakPolarHBondContact OD1-CB 3.49Å; D295-L297 PolarHBondContact OD1-N 2.94Å; D295-T298 WeakPolarHBondContact CB-OG1 3.33Å; D295-T298 PolarHBondContact O-N 3.41Å; D295-T298 PolarHBondContact OD1-N 2.73Å; D295-T298 WeakPolarHBondContact OD2-CG2 3.49Å; D295-T298 PolarHBondContact OD2-OG1 3.38Å; D295-G299 WeakPolarHBondContact O-CA 3.42Å; D295-G299 PolarHBondContact O-N 2.8Å; D295-N300 WeakPolarHBondContact CB-O 3.27Å; D295-N300 PolarHBondContact N-O 2.84Å
296	P	79.9	Confident	90.2	Very high	118 Å²	118	60.3 Å²	60.3	77%	0.766	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.6	-177.9	27.8	-34	0	0	0	113.1	H294	H294-P296 VanDerWaalsContact O-CD 3.27Å; H294-P296 WeakPolarHBondContact O-CD 3.47Å
297	L	81.3	Confident	90.2	Very high	161 Å²	161	60.7 Å²	60.7	84%	0.843	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-37.9	179.7	-63.5	174.5	0	0	0	112.1	D295	D295-L297 PolarHBondContact O-N 2.87Å; D295-L297 WeakPolarHBondContact OD1-CB 3.49Å; D295-L297 PolarHBondContact OD1-N 2.94Å
298	T	83.9	Confident	90.2	Very high	81 Å²	81	63 Å²	63	50%	0.497	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-13.1	-175.9	64.9	0	0	0	0	113.6	D295 N300	D295-T298 WeakPolarHBondContact CB-OG1 3.33Å; D295-T298 PolarHBondContact O-N 3.41Å; D295-T298 PolarHBondContact OD1-N 2.73Å; D295-T298 WeakPolarHBondContact OD2-CG2 3.49Å; D295-T298 PolarHBondContact OD2-OG1 3.38Å; T298-N300 PolarHBondContact O-N 2.81Å; T298-N300 PolarHBondContact OG1-N 3.49Å
299	G	83.1	Confident	90.2	Very high	42 Å²	42	64.3 Å²	64.3	43%	0.433	35%	0.35	S	S	.	.			trans	68.5	2.4	-172	0	0	0	0	0	113.7	H294 D295	H294-G299 PolarHBondContact CE1-O 3.47Å; D295-G299 WeakPolarHBondContact O-CA 3.42Å; D295-G299 PolarHBondContact O-N 2.8Å
300	N	85.1	Confident	90.3	Very high	107 Å²	107	68.9 Å²	68.9	57%	0.572	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-91.1	150.8	-177.7	-68.1	-45.5	0	0	0	111.3	D295 T298	D295-N300 WeakPolarHBondContact CB-O 3.27Å; D295-N300 PolarHBondContact N-O 2.84Å; T298-N300 PolarHBondContact O-N 2.81Å; T298-N300 PolarHBondContact OG1-N 3.49Å
301	T	86.6	Confident	90.6	Very high	91 Å²	91	66.6 Å²	66.6	56%	0.558	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.5	170.5	-54.2	0	0	0	0	109.6	Y292 V293	Y292-T301 HydrophobicContact CD1-CG2 3.74Å; Y292-T301 HydrophobicContact CG-CG2 4.13Å; V293-T301 CarbonylContact O-C 3.59Å; V293-T301 WeakPolarHBondContact O-CA 3.33Å
302	K	89.1	Confident	90.9	Very high	127 Å²	127	65.7 Å²	65.7	55%	0.552	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.6	176.5	-175.2	180	178.2	-178.2	0	110.5	Y292 V293 V304	Y292-K302 WeakPolarHBondContact CA-O 3.19Å; V293-K302 HydrophobicContact CG2-CB 4.12Å; V293-K302 PolarHBondContact N-O 2.94Å; V293-K302 PolarHBondContact O-N 3.24Å; K302-V304 HydrophobicContact CD-CG1 3.98Å; K302-V304 HydrophobicContact CG-CG1 4Å
303	L	91.2	Very high	91.3	Very high	41 Å²	41	61.6 Å²	61.6	22%	0.215	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123	168.9	175.1	56.8	0	0	0	109.7	I290 N291 Y292 V322 P323	I290-L303 HydrophobicContact CB-CD1 4.18Å; I290-L303 HydrophobicContact CG2-CD1 3.41Å; I290-L303 VanDerWaalsContact CG2-CD1 3.41Å; N291-L303 WeakPolarHBondContact O-CA 3.48Å; Y292-L303 HydrophobicContact CE1-CB 4.5Å; L303-V322 HydrophobicContact CD1-CG1 4.28Å; L303-V322 HydrophobicContact CG-CG1 4.07Å; L303-P323 HydrophobicContact CD2-CB 4.04Å
304	V	95.6	Very high	91.7	Very high	31 Å²	31	65.9 Å²	65.9	19%	0.188	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.8	176.6	-58.7	0	0	0	0	110.4	P271 N291 V293 K302	P271-V304 HydrophobicContact CB-CG2 4.33Å; P271-V304 HydrophobicContact CG-CG2 4.36Å; N291-V304 HydrophobicContact CB-CG2 3.89Å; N291-V304 WeakPolarHBondContact CB-O 3.05Å; N291-V304 PolarHBondContact N-O 3.45Å; N291-V304 PolarHBondContact O-N 2.76Å; V293-V304 HydrophobicContact CB-CG2 4.36Å; V293-V304 HydrophobicContact CG1-CG2 3.65Å; V293-V304 HydrophobicContact CG2-CB 4.4Å; V293-V304 HydrophobicContact CG2-CG1 3.7Å; V293-V304 HydrophobicContact CG2-CG2 3.76Å; K302-V304 HydrophobicContact CD-CG1 3.98Å; K302-V304 HydrophobicContact CG-CG1 4Å
305	G	97.6	Very high	92	Very high	7 Å²	7	63 Å²	63	7%	0.072	34%	0.342	C	S	.	.			trans	-89.9	-164.6	177.1	0	0	0	0	0	112.9	D287 N291	D287-G305 VanDerWaalsContact OD2-CA 3.24Å; D287-G305 WeakPolarHBondContact OD2-CA 3.33Å; N291-G305 PolarHBondContact ND2-O 2.89Å
306	D	98.4	Very high	92.8	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-92.2	-6.3	177.8	-65.2	-14.3	0	0	0	112.8	V266 A268 G269 I270 N272 L273 I274 D287 G289 N291	V266-D306 HydrophobicContact CB-CB 4.22Å; V266-D306 HydrophobicContact CG1-CB 3.81Å; V266-D306 HydrophobicContact CG2-CB 3.38Å; A268-D306 WeakPolarHBondContact CA-OD2 3.4Å; A268-D306 PolarHBondContact N-OD2 2.96Å; G269-D306 VanDerWaalsContact CA-OD1 3.28Å; G269-D306 WeakPolarHBondContact CA-OD1 3.47Å; G269-D306 PolarHBondContact N-OD1 2.98Å; G269-D306 PolarHBondContact N-OD2 3.13Å; I270-D306 PolarHBondContact N-OD1 3.42Å; I270-D306 VanDerWaalsContact O-CA 3.26Å; I270-D306 WeakPolarHBondContact O-CA 3.35Å; I270-D306 WeakPolarHBondContact O-CB 3.4Å; N272-D306 CarbonylContact C-O 3.03Å; N272-D306 PolarHBondContact N-O 3.07Å; L273-D306 PolarHBondContact N-O 3.32Å; I274-D306 PolarHBondContact N-O 3.08Å; I274-D306 VanDerWaalsContact N-O 3.16Å; D287-D306 VanDerWaalsContact CG-N 3.32Å; D287-D306 PolarHBondContact OD1-N 3.21Å; D287-D306 PolarHBondContact OD2-N 3.23Å; G289-D306 WeakPolarHBondContact CA-OD2 3.44Å; N291-D306 PolarHBondContact ND2-OD1 3.26Å
307	V	98.6	Very high	93.7	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.055	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-102.1	140	-177.4	-174.4	0	0	0	0	111.4	V266 I274 V285 D287 F309 V312 I319	V266-V307 HydrophobicContact CG1-CG2 3.48Å; V266-V307 VanDerWaalsContact CG1-CG2 3.48Å; I274-V307 HydrophobicContact CB-CG1 4.5Å; I274-V307 HydrophobicContact CB-CG2 4.2Å; V285-V307 HydrophobicContact CG1-CG1 4.17Å; V285-V307 HydrophobicContact CG1-CG2 3.73Å; D287-V307 HydrophobicContact CB-CB 4.48Å; D287-V307 HydrophobicContact CB-CG2 3.76Å; D287-V307 WeakPolarHBondContact OD2-CB 3.39Å; D287-V307 WeakPolarHBondContact OD2-CG2 3.47Å; D287-V307 PolarHBondContact OD2-N 3.12Å; V307-F309 PolarHBondContact O-N 3.16Å; V307-V312 HydrophobicContact CG1-CB 3.78Å; V307-V312 HydrophobicContact CG1-CG1 4.02Å; V307-V312 HydrophobicContact CG1-CG2 3.66Å; V307-I319 HydrophobicContact CG1-CD1 4.34Å
308	D	98.1	Very high	94.5	Very high	51 Å²	51	51.1 Å²	51.1	27%	0.273	28%	0.277	S	S	.	.			trans	-70	80.5	161	178.3	2.9	0	0	0	109.7	I274 T275 E310 A311 V312	I274-D308 PolarHBondContact O-N 2.72Å; T275-D308 HydrophobicContact CG2-CB 4.44Å; D308-E310 VanDerWaalsContact C-N 3.32Å; D308-E310 PolarHBondContact O-N 3.45Å; D308-A311 PolarHBondContact O-N 3.18Å; D308-A311 PolarHBondContact OD1-N 2.68Å; D308-A311 WeakPolarHBondContact OD2-CB 3.3Å; D308-V312 WeakPolarHBondContact O-CB 3.43Å; D308-V312 VanDerWaalsContact O-CG2 3.28Å; D308-V312 WeakPolarHBondContact O-CG2 3.29Å; D308-V312 PolarHBondContact O-N 3Å
309	F	97.9	Very high	95.2	Very high	45 Å²	45	47.3 Å²	47.3	20%	0.197	25%	0.253	C	S	.	.	H	α-helix	trans	-55.7	-44	-169.4	-177.3	-92	0	0	0	112.9	I53 V307 A311 V312 K313 I319 P321	I53-F309 HydrophobicContact CD1-CE1 4.48Å; I53-F309 HydrophobicContact CD1-CZ 4.03Å; I53-F309 HydrophobicContact CG1-CZ 4.16Å; I53-F309 HydrophobicContact CG2-CZ 4.29Å; V307-F309 PolarHBondContact O-N 3.16Å; F309-A311 PolarHBondContact O-N 3.21Å; F309-V312 PolarHBondContact O-N 2.62Å; F309-K313 HydrophobicContact CD1-CD 4.21Å; F309-K313 HydrophobicContact CE1-CD 3.9Å; F309-K313 VanDerWaalsContact O-CB 3.27Å; F309-K313 WeakPolarHBondContact O-CB 3.34Å; F309-K313 WeakPolarHBondContact O-CG 3.41Å; F309-K313 PolarHBondContact O-N 2.95Å; F309-I319 HydrophobicContact CD2-CD1 3.45Å; F309-I319 VanDerWaalsContact CD2-CD1 3.45Å; F309-I319 HydrophobicContact CD2-CG1 3.88Å; F309-I319 HydrophobicContact CE2-CB 4.39Å; F309-I319 HydrophobicContact CE2-CD1 3.76Å; F309-I319 HydrophobicContact CE2-CG1 3.81Å; F309-I319 HydrophobicContact CE2-CG2 3.76Å; F309-I319 HydrophobicContact CG-CD1 4.18Å; F309-I319 HydrophobicContact CZ-CG2 4.11Å; F309-P321 HydrophobicContact CE2-CB 3.86Å; F309-P321 HydrophobicContact CZ-CB 4.15Å
310	E	97.4	Very high	95.9	Very high	101 Å²	101	45.3 Å²	45.3	47%	0.472	23%	0.232	S	C	.	.	H	α-helix	trans	-69.3	-33.7	-175	-73.6	-61.3	120.5	0	0	113	D308 K313 K314	D308-E310 VanDerWaalsContact C-N 3.32Å; D308-E310 PolarHBondContact O-N 3.45Å; E310-K313 IonicContact OE1-NZ 2.81Å; E310-K313 PolarHBondContact OE1-NZ 2.9Å; E310-K313 WeakPolarHBondContact OE2-CE 3.31Å; E310-K313 IonicContact OE2-NZ 3.38Å; E310-K313 PolarHBondContact OE2-NZ 3.08Å; E310-K314 WeakPolarHBondContact O-CE 3.25Å
311	A	97.4	Very high	96.6	Very high	26 Å²	26	41.4 Å²	41.4	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-83.9	-36.7	176.3	0	0	0	0	0	112.3	S276 D308 F309	S276-A311 PolarHBondContact OG-O 3Å; S276-A311 VanDerWaalsContact OG-O 3.06Å; D308-A311 PolarHBondContact O-N 3.18Å; D308-A311 PolarHBondContact OD1-N 2.68Å; D308-A311 WeakPolarHBondContact OD2-CB 3.3Å; F309-A311 PolarHBondContact O-N 3.21Å
312	V	98.2	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-74.2	-35.5	-177.9	173.3	0	0	0	0	111.9	V279 V285 V307 D308 F309 K314 K315 A316 I319	V279-V312 HydrophobicContact CB-CG1 4.41Å; V279-V312 HydrophobicContact CG1-CG1 4.26Å; V279-V312 HydrophobicContact CG2-CG1 3.84Å; V279-V312 HydrophobicContact CG2-CG2 4.03Å; V285-V312 HydrophobicContact CB-CG1 4.37Å; V285-V312 HydrophobicContact CG1-CG1 4.44Å; V285-V312 HydrophobicContact CG2-CG1 3.9Å; V307-V312 HydrophobicContact CG1-CB 3.78Å; V307-V312 HydrophobicContact CG1-CG1 4.02Å; V307-V312 HydrophobicContact CG1-CG2 3.66Å; D308-V312 WeakPolarHBondContact O-CB 3.43Å; D308-V312 VanDerWaalsContact O-CG2 3.28Å; D308-V312 WeakPolarHBondContact O-CG2 3.29Å; D308-V312 PolarHBondContact O-N 3Å; F309-V312 PolarHBondContact O-N 2.62Å; V312-K314 PolarHBondContact O-N 3.12Å; V312-K315 PolarHBondContact O-N 3.4Å; V312-A316 HydrophobicContact CG1-CB 4.06Å; V312-A316 PolarHBondContact O-N 2.8Å; V312-I319 HydrophobicContact CB-CD1 4.15Å; V312-I319 HydrophobicContact CG1-CD1 3.92Å
313	K	97.7	Very high	97.4	Very high	35 Å²	35	36.7 Å²	36.7	15%	0.152	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.9	177.9	75.8	-178.5	-175.5	-173.4	0	113.9	A51 F309 E310 K315 I319	A51-K313 HydrophobicContact CB-CB 4.26Å; A51-K313 VanDerWaalsContact CB-O 3.31Å; A51-K313 WeakPolarHBondContact CB-O 3.44Å; A51-K313 PolarHBondContact N-O 3.33Å; F309-K313 HydrophobicContact CD1-CD 4.21Å; F309-K313 HydrophobicContact CE1-CD 3.9Å; F309-K313 VanDerWaalsContact O-CB 3.27Å; F309-K313 WeakPolarHBondContact O-CB 3.34Å; F309-K313 WeakPolarHBondContact O-CG 3.41Å; F309-K313 PolarHBondContact O-N 2.95Å; E310-K313 IonicContact OE1-NZ 2.81Å; E310-K313 PolarHBondContact OE1-NZ 2.9Å; E310-K313 WeakPolarHBondContact OE2-CE 3.31Å; E310-K313 IonicContact OE2-NZ 3.38Å; E310-K313 PolarHBondContact OE2-NZ 3.08Å; K313-K315 VanDerWaalsContact C-N 3.28Å; K313-I319 HydrophobicContact CB-CD1 4.38Å; K313-I319 HydrophobicContact CB-CG2 4.16Å
314	K	97.2	Very high	97.6	Very high	139 Å²	139	35.6 Å²	35.6	60%	0.604	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.4	177.8	-61.7	174.5	-175.1	170.7	0	113.3	E310 V312	E310-K314 WeakPolarHBondContact O-CE 3.25Å; V312-K314 PolarHBondContact O-N 3.12Å
315	K	96.3	Very high	97.8	Very high	66 Å²	66	34.1 Å²	34.1	29%	0.287	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-38.5	-172.8	-167.6	178.9	-168.3	-169.3	0	113.1	S276 V279 E281 G282 V312 K313	S276-K315 WeakPolarHBondContact O-CD 3.45Å; S276-K315 PolarHBondContact O-NZ 2.92Å; V279-K315 WeakPolarHBondContact O-CD 3.46Å; V279-K315 WeakPolarHBondContact O-CE 3.49Å; V279-K315 PolarHBondContact O-NZ 2.86Å; E281-K315 WeakPolarHBondContact CA-O 3.39Å; E281-K315 HydrophobicContact CB-CG 4.46Å; G282-K315 PolarHBondContact N-O 3.05Å; V312-K315 PolarHBondContact O-N 3.4Å; K313-K315 VanDerWaalsContact C-N 3.28Å
316	A	98.2	Very high	97.8	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	18%	0.184	C	C	.	.			trans	-63.9	151.5	176.1	0	0	0	0	0	111.1	A51 V279 A283 V285 V312	A51-A316 VanDerWaalsContact CA-O 3.25Å; A51-A316 WeakPolarHBondContact CA-O 3.29Å; A51-A316 HydrophobicContact CB-CB 4.06Å; A51-A316 WeakPolarHBondContact CB-O 3.28Å; V279-A316 HydrophobicContact CG1-CB 4.35Å; A283-A316 CarbonylContact O-C 3.59Å; A283-A316 WeakPolarHBondContact O-CA 3.2Å; A283-A316 WeakPolarHBondContact O-CB 3.32Å; V285-A316 HydrophobicContact CG2-CB 4.03Å; V312-A316 HydrophobicContact CG1-CB 4.06Å; V312-A316 PolarHBondContact O-N 2.8Å
317	G	98.3	Very high	97.7	Very high	22 Å²	22	35.6 Å²	35.6	23%	0.227	20%	0.2	C	C	.	.	S	Bend	trans	-80.8	-33.7	168.3	0	0	0	0	0	111.6	I52 G282 A283	I52-G317 PolarHBondContact N-O 3.12Å; G282-G317 VanDerWaalsContact C-N 3.28Å; G282-G317 PolarHBondContact O-N 2.82Å; A283-G317 PolarHBondContact O-N 3.04Å
318	F	98.8	Very high	97.6	Very high	51 Å²	51	37 Å²	37	22%	0.224	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.8	177.9	-61.3	-91	0	0	0	110.6	I52 I54 T201 I203 A283 A284 V285	I52-F318 HydrophobicContact CB-CD1 3.73Å; I52-F318 HydrophobicContact CB-CE1 3.99Å; I52-F318 HydrophobicContact CD1-CD1 4.19Å; I52-F318 HydrophobicContact CD1-CE1 3.56Å; I52-F318 HydrophobicContact CD1-CZ 4.01Å; I52-F318 HydrophobicContact CG1-CD1 4.47Å; I52-F318 HydrophobicContact CG1-CE1 4.31Å; I52-F318 HydrophobicContact CG2-CD1 4.06Å; I52-F318 HydrophobicContact CG2-CE1 4.21Å; I52-F318 WeakPolarHBondContact O-CA 3.33Å; I54-F318 HydrophobicContact CD1-CB 3.95Å; I54-F318 HydrophobicContact CD1-CD1 4.3Å; I54-F318 HydrophobicContact CG1-CB 4.41Å; I54-F318 HydrophobicContact CG1-CD1 4.33Å; T201-F318 HydrophobicContact CG2-CD1 3.55Å; T201-F318 HydrophobicContact CG2-CE1 3.47Å; T201-F318 VanDerWaalsContact CG2-CE1 3.47Å; T201-F318 HydrophobicContact CG2-CG 4.46Å; T201-F318 HydrophobicContact CG2-CZ 4.34Å; I203-F318 HydrophobicContact CD1-CB 4.25Å; I203-F318 HydrophobicContact CD1-CD1 4.47Å; I203-F318 HydrophobicContact CD1-CD2 4.28Å; I203-F318 HydrophobicContact CD1-CG 4.09Å; I203-F318 HydrophobicContact CG1-CD2 4.1Å; I203-F318 HydrophobicContact CG1-CE2 4.21Å; I203-F318 HydrophobicContact CG1-CG 4.31Å; A283-F318 PolarHBondContact O-N 3.41Å; A284-F318 HydrophobicContact CB-CB 4.05Å; A284-F318 HydrophobicContact CB-CD2 4.38Å; V285-F318 PolarHBondContact N-O 3.08Å
319	I	98.8	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.2	175.5	-167.1	169.9	0	0	0	111.7	A51 I52 I53 I54 V285 V307 F309 V312 K313	A51-I319 HydrophobicContact CB-CB 4.2Å; A51-I319 HydrophobicContact CB-CG2 3.67Å; I52-I319 PolarHBondContact O-N 3.39Å; I53-I319 CarbonylContact C-O 3.52Å; I53-I319 WeakPolarHBondContact CA-O 3.42Å; I53-I319 HydrophobicContact CG1-CG2 4.18Å; I54-I319 PolarHBondContact N-O 2.95Å; V285-I319 HydrophobicContact CB-CG1 4.3Å; V285-I319 VanDerWaalsContact O-CA 3.3Å; V285-I319 WeakPolarHBondContact O-CA 3.16Å; V307-I319 HydrophobicContact CG1-CD1 4.34Å; F309-I319 HydrophobicContact CD2-CD1 3.45Å; F309-I319 VanDerWaalsContact CD2-CD1 3.45Å; F309-I319 HydrophobicContact CD2-CG1 3.88Å; F309-I319 HydrophobicContact CE2-CB 4.39Å; F309-I319 HydrophobicContact CE2-CD1 3.76Å; F309-I319 HydrophobicContact CE2-CG1 3.81Å; F309-I319 HydrophobicContact CE2-CG2 3.76Å; F309-I319 HydrophobicContact CG-CD1 4.18Å; F309-I319 HydrophobicContact CZ-CG2 4.11Å; V312-I319 HydrophobicContact CB-CD1 4.15Å; V312-I319 HydrophobicContact CG1-CD1 3.92Å; K313-I319 HydrophobicContact CB-CD1 4.38Å; K313-I319 HydrophobicContact CB-CG2 4.16Å
320	T	98.8	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.			trans	-92.6	135	169.5	60.7	0	0	0	0	110.7	I54 I197 V285 I286 D287	I54-T320 HydrophobicContact CB-CG2 3.96Å; I54-T320 HydrophobicContact CD1-CG2 4.24Å; I54-T320 HydrophobicContact CG2-CG2 4.26Å; I197-T320 HydrophobicContact CD1-CG2 4.37Å; I197-T320 HydrophobicContact CG2-CG2 4.24Å; V285-T320 PolarHBondContact O-N 3.17Å; I286-T320 WeakPolarHBondContact CA-OG1 3.44Å; I286-T320 HydrophobicContact CB-CG2 4.48Å; I286-T320 HydrophobicContact CG1-CG2 4.32Å; I286-T320 HydrophobicContact CG2-CG2 4.16Å; D287-T320 PolarHBondContact N-OG1 3.32Å
321	P	98.1	Very high	97.7	Very high	26 Å²	26	29.8 Å²	29.8	17%	0.169	18%	0.178	C	C	.	.			trans	-80.4	156.8	175.7	33.9	-33.6	0	0	0	111.9	I53 I54 F309 P323 G325	I53-P321 HydrophobicContact CG2-CB 4.44Å; I53-P321 HydrophobicContact CG2-CG 4.01Å; I54-P321 WeakPolarHBondContact O-CD 3.48Å; F309-P321 HydrophobicContact CE2-CB 3.86Å; F309-P321 HydrophobicContact CZ-CB 4.15Å; P321-P323 CarbonylContact C-O 3.37Å; P321-G325 WeakPolarHBondContact O-CA 3.5Å; P321-G325 PolarHBondContact O-N 3.33Å
322	V	97.6	Very high	97.7	Very high	32 Å²	32	28.6 Å²	28.6	19%	0.194	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	119	164.9	179.1	0	0	0	0	108.3	D287 L303	D287-V322 HydrophobicContact CB-CG2 3.87Å; L303-V322 HydrophobicContact CD1-CG1 4.28Å; L303-V322 HydrophobicContact CG-CG1 4.07Å
323	P	95.6	Very high	97.7	Very high	87 Å²	87	28.6 Å²	28.6	57%	0.565	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	cis	-73.1	172	-2.7	31.9	-36.2	0	0	0	113.8	L303 P321	L303-P323 HydrophobicContact CD2-CB 4.04Å; P321-P323 CarbonylContact C-O 3.37Å
324	G	96.4	Very high	97.8	Very high	17 Å²	17	27 Å²	27	18%	0.175	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	-5.1	168.7	0	0	0	0	0	116	G56 T57	G56-G324 CarbonylContact C-O 3.38Å; G56-G324 WeakPolarHBondContact CA-O 3.36Å; G56-G324 PolarHBondContact N-O 3.09Å; T57-G324 PolarHBondContact N-O 3.2Å; T57-G324 WeakPolarHBondContact OG1-CA 3.17Å; T57-G324 PolarHBondContact OG1-O 2.76Å
325	G	98	Very high	97.9	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	-89.2	-108.7	171.8	0	0	0	0	0	112.7	G56 P321 G327 P328	G56-G325 WeakPolarHBondContact CA-O 3.38Å; P321-G325 WeakPolarHBondContact O-CA 3.5Å; P321-G325 PolarHBondContact O-N 3.33Å; G325-G327 PolarHBondContact O-N 3.04Å; G325-P328 WeakPolarHBondContact O-CD 3.29Å
326	V	98.3	Very high	98	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.036	13%	0.131	C	C	.	.	H	α-helix	trans	-68	-34.9	-169.6	-176.2	0	0	0	0	113.4	T190 A193 V194 I197 I286 D287 V288 M329 T330	T190-V326 HydrophobicContact CG2-CG1 4Å; A193-V326 HydrophobicContact CB-CG1 4.26Å; V194-V326 HydrophobicContact CG2-CG1 4.06Å; V194-V326 HydrophobicContact CG2-CG2 4.34Å; I197-V326 HydrophobicContact CD1-CG2 3.91Å; I286-V326 HydrophobicContact CG2-CG2 3.67Å; D287-V326 WeakPolarHBondContact O-CG2 3.46Å; V288-V326 HydrophobicContact CG1-CG1 4.1Å; V288-V326 HydrophobicContact CG2-CG1 4.48Å; V288-V326 HydrophobicContact CG2-CG2 4.17Å; V326-M329 CarbonylContact O-C 3.53Å; V326-M329 WeakPolarHBondContact O-CA 3.49Å; V326-M329 WeakPolarHBondContact O-CB 3.32Å; V326-M329 PolarHBondContact O-N 2.81Å; V326-T330 PolarHBondContact O-N 3.36Å; V326-T330 PolarHBondContact O-OG1 3.28Å
327	G	96	Very high	98	Very high	31 Å²	31	20.5 Å²	20.5	32%	0.32	13%	0.132	S	C	.	.	H	α-helix	trans	-53.5	-54.8	-175.6	0	0	0	0	0	115.3	G325 M329 T330 V331	G325-G327 PolarHBondContact O-N 3.04Å; G327-M329 PolarHBondContact O-N 3.01Å; G327-T330 WeakPolarHBondContact O-CB 3.18Å; G327-T330 PolarHBondContact O-N 3.29Å; G327-V331 PolarHBondContact O-N 3.05Å
328	P	97.1	Very high	98	Very high	40 Å²	40	19.4 Å²	19.4	26%	0.26	12%	0.121	S	C	.	.	H	α-helix	trans	-57.3	-35.4	174.4	-27.1	34.4	0	0	0	113.8	A60 G325 V331 A332	A60-P328 HydrophobicContact CB-CB 3.89Å; A60-P328 WeakPolarHBondContact CB-O 3.47Å; G325-P328 WeakPolarHBondContact O-CD 3.29Å; P328-V331 PolarHBondContact O-N 3.18Å; P328-A332 PolarHBondContact O-N 3.42Å; P328-A332 VanDerWaalsContact O-N 3.17Å
329	M	98.4	Very high	98	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.4	-41.1	177.4	-70.3	-71.8	-66.1	0	0	111.3	M59 A60 I63 A193 E196 I197 V326 G327 V331 A332 M333	M59-M329 HydrophobicContact CB-CE 4.43Å; M59-M329 HydrophobicContact CB-SD 3.61Å; M59-M329 HydrophobicContact CG-CE 3.79Å; M59-M329 HydrophobicContact CG-SD 3.61Å; M59-M329 HydrophobicContact SD-CE 3.44Å; M59-M329 WeakPolarHBondContact SD-CE 3.45Å; M59-M329 HydrophobicContact SD-SD 3.89Å; A60-M329 HydrophobicContact CB-CG 4.46Å; A60-M329 HydrophobicContact CB-SD 3.98Å; A60-M329 PolarHBondContact N-SD 2.95Å; I63-M329 HydrophobicContact CD1-CE 3.4Å; I63-M329 HydrophobicContact CD1-SD 3.9Å; A193-M329 HydrophobicContact CB-CB 3.56Å; E196-M329 HydrophobicContact CB-CE 3.78Å; I197-M329 HydrophobicContact CD1-CB 4.46Å; I197-M329 HydrophobicContact CD1-CG 4.08Å; I197-M329 HydrophobicContact CG1-CE 4.11Å; I197-M329 HydrophobicContact CG1-CG 4.1Å; V326-M329 CarbonylContact O-C 3.53Å; V326-M329 WeakPolarHBondContact O-CA 3.49Å; V326-M329 WeakPolarHBondContact O-CB 3.32Å; V326-M329 PolarHBondContact O-N 2.81Å; G327-M329 PolarHBondContact O-N 3.01Å; M329-V331 VanDerWaalsContact C-N 3.26Å; M329-V331 PolarHBondContact O-N 3.09Å; M329-A332 PolarHBondContact O-N 2.84Å; M329-A332 VanDerWaalsContact O-N 3.09Å; M329-M333 VanDerWaalsContact O-CG 3.3Å; M329-M333 WeakPolarHBondContact O-CG 3.47Å; M329-M333 PolarHBondContact O-N 2.72Å
330	T	97.9	Very high	98	Very high	26 Å²	26	19.9 Å²	19.9	16%	0.16	13%	0.126	C	C	.	.	H	α-helix	trans	-53.9	-44.6	174.2	-63.4	0	0	0	0	111.3	A189 T190 V326 G327 M333 L334	A189-T330 HydrophobicContact CB-CG2 4.06Å; T190-T330 WeakPolarHBondContact CA-OG1 3.43Å; T190-T330 VanDerWaalsContact OG1-CG2 3.23Å; T190-T330 WeakPolarHBondContact OG1-CG2 3.47Å; T190-T330 PolarHBondContact OG1-OG1 3.46Å; T190-T330 VanDerWaalsContact OG1-OG1 3.09Å; V326-T330 PolarHBondContact O-N 3.36Å; V326-T330 PolarHBondContact O-OG1 3.28Å; G327-T330 WeakPolarHBondContact O-CB 3.18Å; G327-T330 PolarHBondContact O-N 3.29Å; T330-M333 PolarHBondContact O-N 3.36Å; T330-L334 PolarHBondContact O-N 3.13Å
331	V	98.1	Very high	97.9	Very high	19 Å²	19	20.6 Å²	20.6	12%	0.115	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-45	177.2	179.6	0	0	0	0	111.2	K102 A105 G327 P328 M329 M333 L334 L335	K102-V331 HydrophobicContact CG-CG1 4.36Å; K102-V331 HydrophobicContact CG-CG2 4.32Å; A105-V331 HydrophobicContact CB-CG1 3.62Å; G327-V331 PolarHBondContact O-N 3.05Å; P328-V331 PolarHBondContact O-N 3.18Å; M329-V331 VanDerWaalsContact C-N 3.26Å; M329-V331 PolarHBondContact O-N 3.09Å; V331-M333 VanDerWaalsContact C-N 3.29Å; V331-M333 PolarHBondContact O-N 2.92Å; V331-L334 PolarHBondContact O-N 3.01Å; V331-L335 WeakPolarHBondContact O-CG 3.17Å; V331-L335 PolarHBondContact O-N 2.7Å
332	A	98.5	Very high	97.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-39.4	177.8	0	0	0	0	0	112.2	A60 I63 Q64 I67 P328 M329 L335 K336	A60-A332 HydrophobicContact CB-CB 4.09Å; I63-A332 HydrophobicContact CB-CB 4.26Å; I63-A332 HydrophobicContact CG2-CB 3.92Å; Q64-A332 HydrophobicContact CG-CB 4.25Å; I67-A332 VanDerWaalsContact CD1-O 3.22Å; I67-A332 WeakPolarHBondContact CD1-O 3.47Å; P328-A332 PolarHBondContact O-N 3.42Å; P328-A332 VanDerWaalsContact O-N 3.17Å; M329-A332 PolarHBondContact O-N 2.84Å; M329-A332 VanDerWaalsContact O-N 3.09Å; A332-L335 PolarHBondContact O-N 2.85Å; A332-K336 PolarHBondContact O-N 3.48Å
333	M	98.7	Very high	97.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-72.3	-33.9	-179.5	-64.8	-47.5	-62.5	0	0	113.3	I63 A189 S192 A193 E196 M329 T330 V331 L335 K336 N337	I63-M333 HydrophobicContact CD1-SD 4.23Å; I63-M333 HydrophobicContact CG2-SD 4.45Å; A189-M333 HydrophobicContact CB-CB 4.31Å; A189-M333 WeakPolarHBondContact O-CB 3.27Å; S192-M333 WeakPolarHBondContact OG-CE 3.33Å; A193-M333 HydrophobicContact CB-CG 4.01Å; E196-M333 HydrophobicContact CG-CE 3.9Å; E196-M333 HydrophobicContact CG-SD 3.87Å; M329-M333 VanDerWaalsContact O-CG 3.3Å; M329-M333 WeakPolarHBondContact O-CG 3.47Å; M329-M333 PolarHBondContact O-N 2.72Å; T330-M333 PolarHBondContact O-N 3.36Å; V331-M333 VanDerWaalsContact C-N 3.29Å; V331-M333 PolarHBondContact O-N 2.92Å; M333-L335 VanDerWaalsContact C-N 3.31Å; M333-L335 PolarHBondContact O-N 2.87Å; M333-K336 HydrophobicContact CE-CB 4.42Å; M333-K336 HydrophobicContact CE-CD 3.62Å; M333-K336 WeakPolarHBondContact O-CB 3.47Å; M333-K336 PolarHBondContact O-N 3.35Å; M333-K336 HydrophobicContact SD-CD 4.15Å; M333-N337 PolarHBondContact O-N 3.43Å
334	L	98.6	Very high	97.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-44.7	168.9	173	68.1	0	0	0	111.5	L84 K102 L144 V168 A189 T330 V331 K336 N337 T338	L84-L334 HydrophobicContact CD2-CD2 4.3Å; K102-L334 HydrophobicContact CB-CD2 4.41Å; K102-L334 HydrophobicContact CD-CD2 3.61Å; K102-L334 HydrophobicContact CG-CD2 3.87Å; L144-L334 HydrophobicContact CD2-CD2 3.95Å; V168-L334 HydrophobicContact CB-CD1 4Å; V168-L334 HydrophobicContact CG2-CD1 3.58Å; A189-L334 HydrophobicContact CB-CB 4.15Å; T330-L334 PolarHBondContact O-N 3.13Å; V331-L334 PolarHBondContact O-N 3.01Å; L334-K336 VanDerWaalsContact C-N 3.34Å; L334-N337 PolarHBondContact O-N 3.09Å; L334-T338 PolarHBondContact O-N 2.88Å; L334-T338 PolarHBondContact O-OG1 3.18Å
335	L	98.7	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.7	-35	178.7	-60.5	179.2	0	0	0	111.9	I67 L84 A105 A106 V109 I111 V331 A332 M333 T338 L339	I67-L335 HydrophobicContact CD1-CB 4.01Å; L84-L335 HydrophobicContact CD2-CD2 4.2Å; A105-L335 VanDerWaalsContact C-CD1 3.49Å; A105-L335 HydrophobicContact CB-CD1 3.67Å; A106-L335 HydrophobicContact CB-CD2 3.68Å; V109-L335 HydrophobicContact CG2-CD1 3.93Å; I111-L335 HydrophobicContact CD1-CB 4.12Å; I111-L335 HydrophobicContact CD1-CD2 4.27Å; V331-L335 WeakPolarHBondContact O-CG 3.17Å; V331-L335 PolarHBondContact O-N 2.7Å; A332-L335 PolarHBondContact O-N 2.85Å; M333-L335 VanDerWaalsContact C-N 3.31Å; M333-L335 PolarHBondContact O-N 2.87Å; L335-T338 WeakPolarHBondContact O-CB 3.22Å; L335-T338 PolarHBondContact O-N 3.06Å; L335-L339 PolarHBondContact O-N 2.99Å
336	K	98.6	Very high	96.6	Very high	64 Å²	64	30.7 Å²	30.7	28%	0.278	17%	0.167	S	C	.	.	H	α-helix	trans	-62	-46.6	171.7	-170.2	177.5	176.2	-177.3	0	110.8	I67 E196 A332 M333 L334 T338 L339 L340	I67-K336 HydrophobicContact CD1-CB 3.96Å; I67-K336 HydrophobicContact CG1-CB 4.27Å; E196-K336 IonicContact OE1-NZ 3.58Å; A332-K336 PolarHBondContact O-N 3.48Å; M333-K336 HydrophobicContact CE-CB 4.42Å; M333-K336 HydrophobicContact CE-CD 3.62Å; M333-K336 WeakPolarHBondContact O-CB 3.47Å; M333-K336 PolarHBondContact O-N 3.35Å; M333-K336 HydrophobicContact SD-CD 4.15Å; L334-K336 VanDerWaalsContact C-N 3.34Å; K336-T338 VanDerWaalsContact C-N 3.29Å; K336-T338 PolarHBondContact O-N 3.1Å; K336-L339 PolarHBondContact O-N 3.36Å; K336-L339 VanDerWaalsContact O-N 3.17Å; K336-L340 WeakPolarHBondContact O-CG 3.27Å; K336-L340 PolarHBondContact O-N 3.42Å
337	N	98.6	Very high	96.1	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-41	175	-76.7	-2.7	0	0	0	111.7	V168 L186 I187 M333 L334 L339 L340 A341	V168-N337 HydrophobicContact CB-CB 4.05Å; V168-N337 HydrophobicContact CG1-CB 4.38Å; V168-N337 WeakPolarHBondContact O-CB 3.39Å; V168-N337 PolarHBondContact O-ND2 3.42Å; L186-N337 HydrophobicContact CD2-CB 4.09Å; I187-N337 PolarHBondContact O-ND2 3.48Å; M333-N337 PolarHBondContact O-N 3.43Å; L334-N337 PolarHBondContact O-N 3.09Å; N337-L339 VanDerWaalsContact C-N 3.33Å; N337-L339 PolarHBondContact O-N 3.29Å; N337-L340 PolarHBondContact O-N 3.47Å; N337-L340 VanDerWaalsContact O-N 3.17Å; N337-A341 WeakPolarHBondContact O-CB 3.4Å; N337-A341 PolarHBondContact O-N 2.94Å
338	T	98.7	Very high	96.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-41.8	175.7	-52.9	0	0	0	0	112.1	P82 L84 I111 L334 L335 K336 A342	P82-T338 HydrophobicContact CB-CG2 4.25Å; L84-T338 HydrophobicContact CB-CG2 4.05Å; I111-T338 HydrophobicContact CD1-CG2 4.36Å; I111-T338 HydrophobicContact CG2-CG2 4.08Å; L334-T338 PolarHBondContact O-N 2.88Å; L334-T338 PolarHBondContact O-OG1 3.18Å; L335-T338 WeakPolarHBondContact O-CB 3.22Å; L335-T338 PolarHBondContact O-N 3.06Å; K336-T338 VanDerWaalsContact C-N 3.29Å; K336-T338 PolarHBondContact O-N 3.1Å; T338-A342 WeakPolarHBondContact O-CB 3.19Å; T338-A342 PolarHBondContact O-N 3.04Å
339	L	98.6	Very high	96.1	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-39	175	-178.5	61.2	0	0	0	112	I67 V71 P82 L335 K336 N337 K343	I67-L339 HydrophobicContact CG2-CD2 4.28Å; V71-L339 HydrophobicContact CG2-CD1 3.87Å; V71-L339 HydrophobicContact CG2-CD2 4.39Å; P82-L339 HydrophobicContact CG-CD1 3.89Å; L335-L339 PolarHBondContact O-N 2.99Å; K336-L339 PolarHBondContact O-N 3.36Å; K336-L339 VanDerWaalsContact O-N 3.17Å; N337-L339 VanDerWaalsContact C-N 3.33Å; N337-L339 PolarHBondContact O-N 3.29Å; L339-K343 HydrophobicContact CD1-CD 4.32Å; L339-K343 HydrophobicContact CD1-CG 4.43Å; L339-K343 HydrophobicContact CG-CD 4.34Å; L339-K343 VanDerWaalsContact O-CG 3.29Å; L339-K343 WeakPolarHBondContact O-CG 3.34Å; L339-K343 PolarHBondContact O-N 3.21Å; L339-K343 VanDerWaalsContact O-N 3.16Å
340	L	98.3	Very high	95.9	Very high	46 Å²	46	37.9 Å²	37.9	24%	0.241	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-43.6	176.6	-68.2	175.5	0	0	0	111.7	L186 K336 N337 K343 Q344 I345	L186-L340 HydrophobicContact CD2-CB 4.33Å; K336-L340 WeakPolarHBondContact O-CG 3.27Å; K336-L340 PolarHBondContact O-N 3.42Å; N337-L340 PolarHBondContact O-N 3.47Å; N337-L340 VanDerWaalsContact O-N 3.17Å; L340-K343 PolarHBondContact O-N 2.65Å; L340-Q344 PolarHBondContact O-N 3.16Å; L340-I345 HydrophobicContact CD2-CD1 3.83Å; L340-I345 PolarHBondContact O-N 3.48Å
341	A	98.3	Very high	95.8	Very high	14 Å²	14	38.6 Å²	38.6	12%	0.116	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-46.5	175.9	0	0	0	0	0	111.4	S141 E165 V168 L186 N337 K343 Q344	S141-A341 VanDerWaalsContact O-CB 3.28Å; S141-A341 WeakPolarHBondContact O-CB 3.42Å; E165-A341 WeakPolarHBondContact O-CB 3.47Å; V168-A341 HydrophobicContact CG1-CB 4.1Å; L186-A341 HydrophobicContact CD1-CB 4.37Å; N337-A341 WeakPolarHBondContact O-CB 3.4Å; N337-A341 PolarHBondContact O-N 2.94Å; A341-K343 PolarHBondContact O-N 3.1Å; A341-Q344 PolarHBondContact O-N 3.04Å; A341-Q344 VanDerWaalsContact O-N 3.09Å
342	A	97.8	Very high	95.7	Very high	18 Å²	18	39.9 Å²	39.9	15%	0.149	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-31.5	176.3	0	0	0	0	0	113.6	W74 P82 T338	W74-A342 VanDerWaalsContact CZ2-O 3.28Å; W74-A342 WeakPolarHBondContact CZ2-O 3.39Å; P82-A342 HydrophobicContact CB-CB 3.68Å; P82-A342 HydrophobicContact CG-CB 3.73Å; T338-A342 WeakPolarHBondContact O-CB 3.19Å; T338-A342 PolarHBondContact O-N 3.04Å
343	K	97	Very high	95.5	Very high	59 Å²	59	42.5 Å²	42.5	26%	0.257	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.4	179.7	-70.4	-176.4	175.6	-175.6	0	114	G70 W74 L339 L340 A341 I345	G70-K343 PolarHBondContact O-NZ 2.95Å; W74-K343 HydrophobicContact CD2-CG 3.93Å; W74-K343 HydrophobicContact CE3-CD 4.26Å; W74-K343 HydrophobicContact CE3-CG 3.68Å; W74-K343 HydrophobicContact CH2-CB 4.48Å; W74-K343 HydrophobicContact CH2-CG 4.25Å; W74-K343 HydrophobicContact CZ2-CG 4.49Å; W74-K343 HydrophobicContact CZ3-CB 4.33Å; W74-K343 HydrophobicContact CZ3-CG 3.84Å; L339-K343 HydrophobicContact CD1-CD 4.32Å; L339-K343 HydrophobicContact CD1-CG 4.43Å; L339-K343 HydrophobicContact CG-CD 4.34Å; L339-K343 VanDerWaalsContact O-CG 3.29Å; L339-K343 WeakPolarHBondContact O-CG 3.34Å; L339-K343 PolarHBondContact O-N 3.21Å; L339-K343 VanDerWaalsContact O-N 3.16Å; L340-K343 PolarHBondContact O-N 2.65Å; A341-K343 PolarHBondContact O-N 3.1Å; K343-I345 HydrophobicContact CB-CD1 3.62Å; K343-I345 HydrophobicContact CB-CG1 3.67Å; K343-I345 HydrophobicContact CD-CD1 3.7Å; K343-I345 HydrophobicContact CG-CD1 4.31Å; K343-I345 PolarHBondContact O-N 2.85Å
344	Q	93	Very high	95.3	Very high	155 Å²	155	45.5 Å²	45.5	72%	0.724	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	45.5	-175.5	-63.3	-178.8	-26.4	0	0	112.2	L340 A341	L340-Q344 PolarHBondContact O-N 3.16Å; A341-Q344 PolarHBondContact O-N 3.04Å; A341-Q344 VanDerWaalsContact O-N 3.09Å
345	I	85.2	Confident	95	Very high	107 Å²	107	48.9 Å²	48.9	55%	0.549	24%	0.236	S	C	.	.	S	Bend	trans	-78.7	-28.2	-178.5	-73	168.1	0	0	0	111.6	L340 K343	L340-I345 HydrophobicContact CD2-CD1 3.83Å; L340-I345 PolarHBondContact O-N 3.48Å; K343-I345 HydrophobicContact CB-CD1 3.62Å; K343-I345 HydrophobicContact CB-CG1 3.67Å; K343-I345 HydrophobicContact CD-CD1 3.7Å; K343-I345 HydrophobicContact CG-CD1 4.31Å; K343-I345 PolarHBondContact O-N 2.85Å
346	I	85.2	Confident	94.7	Very high	36 Å²	36	53 Å²	53	19%	0.185	26%	0.255	C	S	.	.			trans	-100.2	-34	-173	-59.8	-178.4	0	0	0	111.9	H184 S185 L186	H184-I346 HydrophobicContact CB-CG2 4.24Å; S185-I346 WeakPolarHBondContact O-CD1 3.17Å; L186-I346 HydrophobicContact CD2-CD1 3.76Å; L186-I346 HydrophobicContact CG-CD1 4.17Å
347	Y	87.3	Confident	94.3	Very high	116 Å²	116	52 Å²	52	46%	0.455	25%	0.253	S	S	.	.			trans	-117.4	0	-172.3	-76.2	-85.2	0	0	0	111.1	P164 E165 N175	P164-Y347 HydrophobicContact CB-CE1 3.85Å; P164-Y347 HydrophobicContact CB-CE2 4.47Å; P164-Y347 VanDerWaalsContact CB-OH 3.26Å; P164-Y347 WeakPolarHBondContact CB-OH 3.39Å; E165-Y347 HydrophobicContact CB-CD1 4.22Å; E165-Y347 HydrophobicContact CB-CD2 3.68Å; E165-Y347 HydrophobicContact CB-CE2 4.32Å; E165-Y347 HydrophobicContact CB-CG 3.62Å; N175-Y347 PolarHBondContact OD1-OH 3.24Å

Retrieved 347 of 347 residues in 2432.3 ms (Link to these results)

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