A0A087XXH6_POEFO Loading...

Branched-chain-amino-acid aminotransferase

Catalyzes the first reaction in the catabolism of the essential branched chain amino acids leucine, isoleucine, and valine. May also function as a transporter of branched chain alpha-keto acids.

AlphaFold DB , UniProt , Accession A0A087XXH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 397 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	L	34.3	Very low	31.3	Very low	218 Å²	218	138.1 Å²	138.1	100%	1.141	78%	0.777	S	S	*	*				0	87.3	0	-78.2	148.9	0	0	0	106.6
2	V	31.3	Very low	31	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.715	79%	0.785	S	S	*	*				79	116.5	102.9	166.9	0	0	0	0	108.5
3	K	30.1	Very low	31	Very low	179 Å²	179	143.2 Å²	143.2	78%	0.778	79%	0.787	S	S	*	*			cis	-163.6	132.6	23.9	-104.2	163.3	176.6	-176.4	0	107.1
4	T	34.9	Very low	31	Very low	124 Å²	124	139.9 Å²	139.9	76%	0.761	79%	0.789	S	S	*	*				53.3	137.9	89.9	67.9	0	0	0	0	113.6
5	S	32.7	Very low	31	Very low	91 Å²	91	140.5 Å²	140.5	64%	0.636	79%	0.788	S	S	*	*			cis	-173.9	139.5	43.3	49.5	0	0	0	0	109.3
6	E	35	Very low	31.1	Very low	185 Å²	185	143.4 Å²	143.4	86%	0.864	79%	0.793	S	S	*	*				72	145.4	111.1	-68.3	177.9	165.9	0	0	115.5
7	S	30.9	Very low	31.2	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	79%	0.787	S	S	*	*			cis	-172.7	155.2	-1.5	50.1	0	0	0	0	104
8	L	29.3	Very low	31.3	Very low	154 Å²	154	145.1 Å²	145.1	81%	0.806	79%	0.793	S	S	*	*				178.2	138.3	81.6	-107.2	133.3	0	0	0	109.1
9	S	29	Very low	31.3	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	79%	0.791	S	S	*	*			trans	-77.5	-179.9	168.8	61.4	0	0	0	0	112.8
10	F	29.3	Very low	31.4	Very low	201 Å²	201	144.2 Å²	144.2	88%	0.882	79%	0.789	S	S	*	*			trans	102.6	104.9	173.4	-68.3	-77.2	0	0	0	111.2
11	G	27	Very low	31.3	Very low	66 Å²	66	145.3 Å²	145.3	68%	0.68	79%	0.789	S	S	*	*			cis	111.7	106.8	33.3	0	0	0	0	0	107.3
12	L	28.1	Very low	31.2	Very low	168 Å²	168	140.7 Å²	140.7	88%	0.88	77%	0.77	S	S	*	*			trans	-177.3	114.2	139.7	-119.3	82.4	0	0	0	110.8
13	Q	30.6	Very low	31.1	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	77%	0.774	S	S	*	*			trans	-1.1	123.7	148.9	-66.7	163.2	-29.6	0	0	118.3
14	A	31.3	Very low	31.3	Very low	98 Å²	98	139.2 Å²	139.2	81%	0.81	77%	0.772	S	S	*	*			trans	-147.3	106.1	139.1	0	0	0	0	0	109.1	H16	A14-H16 PolarHBondContact O-N 3.23Å
15	L	32	Very low	31.2	Very low	149 Å²	149	142.3 Å²	142.3	78%	0.78	78%	0.776	S	S	*	*			trans	-56.4	130.5	171	-77.7	94.6	0	0	0	110.3
16	H	32.1	Very low	31.2	Very low	187 Å²	187	143 Å²	143	87%	0.866	78%	0.78	S	S	*	*			trans	-129	89	148.8	-102.1	59.5	0	0	0	108.2	A14 R18	A14-H16 PolarHBondContact O-N 3.23Å; H16-R18 PolarHBondContact O-N 2.67Å
17	A	31.9	Very low	31.3	Very low	84 Å²	84	143.4 Å²	143.4	69%	0.694	78%	0.78	S	S	*	*			trans	-65.4	107.3	164.5	0	0	0	0	0	108.5
18	R	33	Very low	31.4	Very low	233 Å²	233	141.4 Å²	141.4	88%	0.879	77%	0.774	S	S	*	*			trans	-88.4	106.6	156.9	-87	-173.8	175.8	-161.1	-0.9	107.3	H16 V20	H16-R18 PolarHBondContact O-N 2.67Å; R18-V20 PolarHBondContact O-N 2.97Å; R18-V20 VanDerWaalsContact O-N 3.15Å
19	L	31.3	Very low	31.9	Very low	145 Å²	145	138.7 Å²	138.7	76%	0.759	77%	0.773	S	S	*	*			trans	-51.4	115.6	166.2	-89.7	99.3	0	0	0	109.3	Q21	L19-Q21 VanDerWaalsContact C-N 3.29Å; L19-Q21 HydrophobicContact CD2-CG 4.33Å; L19-Q21 PolarHBondContact O-N 2.64Å
20	V	33.2	Very low	32.5	Very low	126 Å²	126	141 Å²	141	76%	0.764	78%	0.778	S	S	*	*			trans	-72.5	94.2	151	177.6	0	0	0	0	105.2	R18 T22	R18-V20 PolarHBondContact O-N 2.97Å; R18-V20 VanDerWaalsContact O-N 3.15Å; V20-T22 VanDerWaalsContact C-N 3.28Å; V20-T22 HydrophobicContact CG1-CG2 4.18Å; V20-T22 PolarHBondContact O-N 3.29Å
21	Q	29.5	Very low	33.2	Very low	169 Å²	169	142.5 Å²	142.5	79%	0.79	78%	0.778	S	S	*	*			trans	-71.2	93.9	163.5	-94	179.6	-24.1	0	0	107.2	L19 L23	L19-Q21 VanDerWaalsContact C-N 3.29Å; L19-Q21 HydrophobicContact CD2-CG 4.33Å; L19-Q21 PolarHBondContact O-N 2.64Å; Q21-L23 PolarHBondContact O-N 3.17Å; Q21-L23 VanDerWaalsContact O-N 3.1Å
22	T	32	Very low	34	Very low	121 Å²	121	149.5 Å²	149.5	74%	0.742	79%	0.789	S	S	*	*			trans	-60.5	106.2	157.9	41.7	0	0	0	0	107.2	V20 P24	V20-T22 VanDerWaalsContact C-N 3.28Å; V20-T22 HydrophobicContact CG1-CG2 4.18Å; V20-T22 PolarHBondContact O-N 3.29Å; T22-P24 WeakPolarHBondContact O-CD 3.44Å
23	L	30.9	Very low	35.2	Very low	151 Å²	151	144.4 Å²	144.4	79%	0.791	77%	0.772	S	S	*	*			trans	-56.6	121.7	165.8	-79	159.8	0	0	0	107.3	Q21 F25	Q21-L23 PolarHBondContact O-N 3.17Å; Q21-L23 VanDerWaalsContact O-N 3.1Å; L23-F25 PolarHBondContact O-N 3.41Å
24	P	32.8	Very low	37.6	Very low	114 Å²	114	140.8 Å²	140.8	74%	0.74	77%	0.766	S	S	*	*			trans	-69.1	111.4	167.6	28.5	-27.5	0	0	0	105.6	T22 S26	T22-P24 WeakPolarHBondContact O-CD 3.44Å; P24-S26 PolarHBondContact O-N 3.31Å
25	F	34	Very low	40.7	Very low	190 Å²	190	137.1 Å²	137.1	83%	0.833	73%	0.734	S	S	*	*			trans	-59.7	86.5	154.5	-93.4	-91.1	0	0	0	106.3	L23 F27	L23-F25 PolarHBondContact O-N 3.41Å; F25-F27 PolarHBondContact O-N 3.27Å
26	S	32.2	Very low	43.8	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	70%	0.698	S	S	*	*			trans	-69.1	96.7	162	-162.4	0	0	0	0	104.4	P24 G28	P24-S26 PolarHBondContact O-N 3.31Å; S26-G28 PolarHBondContact O-N 3.34Å
27	F	37.4	Very low	47	Very low	194 Å²	194	125.1 Å²	125.1	85%	0.851	67%	0.673	S	S	*	*			trans	-56.2	88.2	149.9	-87.8	-92	0	0	0	105.1	F25 A29	F25-F27 PolarHBondContact O-N 3.27Å; F27-A29 VanDerWaalsContact C-N 3.29Å; F27-A29 PolarHBondContact O-N 2.7Å
28	G	33.3	Very low	50.1	Low	50 Å²	50	122.2 Å²	122.2	52%	0.515	65%	0.649	S	S	.	*			trans	-55.7	106.2	164.5	0	0	0	0	0	104.8	S26 L30	S26-G28 PolarHBondContact O-N 3.34Å; G28-L30 PolarHBondContact O-N 3.46Å
29	A	39.7	Very low	53.2	Low	96 Å²	96	115.5 Å²	115.5	79%	0.793	64%	0.644	S	S	*	*			trans	-56.8	86	161.1	0	0	0	0	0	105.8	F27 R31	F27-A29 VanDerWaalsContact C-N 3.29Å; F27-A29 PolarHBondContact O-N 2.7Å; A29-R31 VanDerWaalsContact C-N 3.26Å; A29-R31 PolarHBondContact O-N 3.03Å
30	L	41.3	Very low	56.4	Low	140 Å²	140	113.2 Å²	113.2	73%	0.733	63%	0.632	S	S	*	*			trans	-64.7	100.6	171.5	-103.9	121.6	0	0	0	104.6	G28 F32	G28-L30 PolarHBondContact O-N 3.46Å; L30-F32 PolarHBondContact O-N 3Å; L30-F32 VanDerWaalsContact O-N 3.07Å
31	R	43.1	Very low	59.5	Low	233 Å²	233	108.8 Å²	108.8	88%	0.879	60%	0.604	S	S	*	*			trans	-33.4	116.6	165.2	-69.4	174.7	172.1	-175.6	-3.9	107.6	A29 A33	A29-R31 VanDerWaalsContact C-N 3.26Å; A29-R31 PolarHBondContact O-N 3.03Å; R31-A33 PolarHBondContact O-N 2.84Å
32	F	43.6	Very low	62.8	Low	212 Å²	212	104.1 Å²	104.1	93%	0.93	59%	0.587	S	S	*	*			trans	-58.1	86.5	154.9	-83.4	-93.3	0	0	0	105.7	L30 S34	L30-F32 PolarHBondContact O-N 3Å; L30-F32 VanDerWaalsContact O-N 3.07Å; F32-S34 PolarHBondContact O-N 3.22Å; F32-S34 VanDerWaalsContact O-N 3.11Å
33	A	53.8	Low	66	Low	62 Å²	62	101.5 Å²	101.5	51%	0.512	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-58.8	116.4	158.5	0	0	0	0	0	104.4	R31 S35	R31-A33 PolarHBondContact O-N 2.84Å; A33-S35 PolarHBondContact O-N 2.73Å
34	S	81.7	Confident	69.2	Low	98 Å²	98	99.9 Å²	99.9	69%	0.685	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-49.2	131.2	-178.8	44.3	0	0	0	0	109.8	F32	F32-S34 PolarHBondContact O-N 3.22Å; F32-S34 VanDerWaalsContact O-N 3.11Å
35	S	95.1	Very high	72.2	Confident	21 Å²	21	101 Å²	101	15%	0.147	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-56.5	154.2	167.9	-177.2	0	0	0	0	109.9	A33 D144	A33-S35 PolarHBondContact O-N 2.73Å; S35-D144 PolarHBondContact OG-N 2.73Å
36	F	98	Very high	75	Confident	6 Å²	6	93.6 Å²	93.6	3%	0.026	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-54.1	153.7	161.3	58.9	-93.2	0	0	0	110.5	I71 W79 P82 F143 E147 L148 I194	F36-I71 HydrophobicContact CB-CG2 4.09Å; F36-I71 HydrophobicContact CD1-CD1 4.05Å; F36-I71 HydrophobicContact CD1-CG2 3.68Å; F36-I71 HydrophobicContact CD2-CD1 3.74Å; F36-I71 HydrophobicContact CE1-CD1 3.73Å; F36-I71 HydrophobicContact CE1-CG2 4.21Å; F36-I71 HydrophobicContact CE2-CD1 3.42Å; F36-I71 VanDerWaalsContact CE2-CD1 3.42Å; F36-I71 HydrophobicContact CG-CD1 4.04Å; F36-I71 HydrophobicContact CG-CG2 3.86Å; F36-I71 HydrophobicContact CZ-CD1 3.41Å; F36-I71 VanDerWaalsContact CZ-CD1 3.41Å; F36-W79 HydrophobicContact CB-CB 3.99Å; F36-W79 HydrophobicContact CB-CG 4.49Å; F36-W79 HydrophobicContact CD1-CB 4.2Å; F36-W79 AromaticContact CD1-CD2 3.58Å; F36-W79 HydrophobicContact CD1-CD2 3.58Å; F36-W79 AromaticContact CD1-CE3 3.66Å; F36-W79 HydrophobicContact CD1-CE3 3.66Å; F36-W79 AromaticContact CD1-CG 3.83Å; F36-W79 HydrophobicContact CD1-CG 3.83Å; F36-W79 HydrophobicContact CD1-CZ3 4.27Å; F36-W79 HydrophobicContact CE1-CD2 4.11Å; F36-W79 HydrophobicContact CE1-CE3 4.07Å; F36-W79 HydrophobicContact CE1-CH2 4.4Å; F36-W79 HydrophobicContact CE1-CZ2 4.41Å; F36-W79 HydrophobicContact CE1-CZ3 4.22Å; F36-P82 HydrophobicContact CD2-CG 4.37Å; F36-F143 HydrophobicContact CD1-CB 4.47Å; F36-F143 HydrophobicContact CE1-CB 3.6Å; F36-F143 HydrophobicContact CE1-CG 4.32Å; F36-F143 HydrophobicContact CZ-CB 4.07Å; F36-F143 HydrophobicContact CZ-CG 4.48Å; F36-E147 HydrophobicContact CD2-CB 4.29Å; F36-E147 HydrophobicContact CE2-CB 4.08Å; F36-L148 HydrophobicContact CE2-CB 4.23Å; F36-L148 HydrophobicContact CE2-CD1 4.47Å; F36-L148 HydrophobicContact CZ-CB 3.93Å; F36-L148 HydrophobicContact CZ-CD1 4.08Å; F36-I194 HydrophobicContact CE1-CD1 4.18Å
37	K	98.3	Very high	77.8	Confident	77 Å²	77	94.3 Å²	94.3	34%	0.335	52%	0.517	S	S	.	.			trans	-116	136.7	178.2	-60.5	-58.8	-170.8	179	0	110.7	A39 D40 P82 E147	K37-A39 HydrophobicContact CB-CB 4.49Å; K37-A39 PolarHBondContact O-N 2.85Å; K37-D40 WeakPolarHBondContact CB-OD2 3.38Å; K37-D40 PolarHBondContact O-N 2.92Å; K37-P82 WeakPolarHBondContact O-CD 3.38Å; K37-P82 WeakPolarHBondContact O-CG 3.42Å; K37-E147 WeakPolarHBondContact CA-OE2 3.22Å; K37-E147 VanDerWaalsContact CD-CD 3.47Å; K37-E147 HydrophobicContact CD-CG 4.04Å; K37-E147 WeakPolarHBondContact CD-OE1 3.11Å; K37-E147 IonicContact NZ-OE1 3.16Å; K37-E147 PolarHBondContact NZ-OE1 2.46Å
38	A	98.1	Very high	80.4	Confident	23 Å²	23	92.8 Å²	92.8	19%	0.19	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-63.4	-23	173.3	0	0	0	0	0	112.1	D40 L41 E147 Q150	A38-D40 PolarHBondContact O-N 2.99Å; A38-L41 WeakPolarHBondContact O-CB 3.25Å; A38-L41 PolarHBondContact O-N 2.74Å; A38-E147 PolarHBondContact N-OE2 3.07Å; A38-Q150 HydrophobicContact CB-CB 3.58Å
39	A	97.9	Very high	83.2	Confident	93 Å²	93	94 Å²	94	77%	0.769	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-64.6	-27	173.1	0	0	0	0	0	113.2	K37 L41	K37-A39 HydrophobicContact CB-CB 4.49Å; K37-A39 PolarHBondContact O-N 2.85Å; A39-L41 VanDerWaalsContact C-N 3.28Å
40	D	98.2	Very high	85.8	Confident	97 Å²	97	93.1 Å²	93.1	52%	0.519	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-90.8	7	179.7	-55.8	-33.3	0	0	0	112.2	K37 A38 T42 A81	K37-D40 WeakPolarHBondContact CB-OD2 3.38Å; K37-D40 PolarHBondContact O-N 2.92Å; A38-D40 PolarHBondContact O-N 2.99Å; D40-T42 PolarHBondContact O-N 2.86Å; D40-A81 HydrophobicContact CB-CB 4.24Å
41	L	98.6	Very high	88.3	Confident	32 Å²	32	92.1 Å²	92.1	17%	0.168	49%	0.492	C	S	.	.			trans	-64.8	124.4	-176.8	178.9	63.2	0	0	0	111.7	A38 A39 I43 L69 P82 I84 K154	A38-L41 WeakPolarHBondContact O-CB 3.25Å; A38-L41 PolarHBondContact O-N 2.74Å; A39-L41 VanDerWaalsContact C-N 3.28Å; L41-I43 HydrophobicContact CG-CG1 4.45Å; L41-L69 HydrophobicContact CD1-CD1 3.94Å; L41-P82 WeakPolarHBondContact CA-O 3.28Å; L41-P82 HydrophobicContact CB-CG 4.03Å; L41-P82 HydrophobicContact CD1-CB 3.81Å; L41-P82 HydrophobicContact CD1-CG 4Å; L41-P82 WeakPolarHBondContact CD1-O 3.44Å; L41-I84 HydrophobicContact CD1-CD1 4.23Å; L41-I84 HydrophobicContact CD1-CG1 4.06Å; L41-I84 HydrophobicContact CD2-CD1 3.82Å; L41-I84 HydrophobicContact CG-CD1 4.38Å; L41-K154 HydrophobicContact CD2-CB 3.67Å; L41-K154 HydrophobicContact CD2-CG 3.57Å
42	T	98.6	Very high	90.8	Very high	71 Å²	71	85.1 Å²	85.1	44%	0.436	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147	171.3	56.8	0	0	0	0	110.6	D40 P82 I84	D40-T42 PolarHBondContact O-N 2.86Å; T42-P82 PolarHBondContact N-O 2.88Å; T42-P82 PolarHBondContact OG1-O 3.32Å; T42-I84 PolarHBondContact O-N 2.73Å
43	I	98.6	Very high	93.2	Very high	66 Å²	66	76.6 Å²	76.6	34%	0.338	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115	-178.9	-53.7	178.6	0	0	0	108.9	L41 R45 I84 K154 V158	L41-I43 HydrophobicContact CG-CG1 4.45Å; I43-R45 HydrophobicContact CG2-CG 4.37Å; I43-I84 CarbonylContact C-O 3.56Å; I43-I84 WeakPolarHBondContact CA-O 3.27Å; I43-I84 HydrophobicContact CG1-CB 4.3Å; I43-I84 HydrophobicContact CG1-CD1 4.38Å; I43-I84 HydrophobicContact CG2-CB 4.37Å; I43-I84 HydrophobicContact CG2-CG2 4.18Å; I43-K154 HydrophobicContact CD1-CD 4.31Å; I43-K154 HydrophobicContact CD1-CG 3.94Å; I43-V158 HydrophobicContact CD1-CG2 4.04Å; I43-V158 HydrophobicContact CG2-CG2 4.16Å
44	E	98.2	Very high	95	Very high	118 Å²	118	78.5 Å²	78.5	55%	0.551	44%	0.436	S	S	*	.			trans	-102.1	114	167.5	-176.9	-171	170.6	0	0	108.2	H67 I84 K85 P86	E44-H67 PolarHBondContact O-CD2 3.12Å; E44-I84 PolarHBondContact N-O 3.34Å; E44-K85 HydrophobicContact CB-CB 4.21Å; E44-P86 HydrophobicContact CG-CG 4.42Å; E44-P86 WeakPolarHBondContact O-CD 3.45Å
45	R	96.3	Very high	95.3	Very high	137 Å²	137	75.8 Å²	75.8	52%	0.517	42%	0.416	S	S	.	.			trans	-80.8	137.6	-179.8	-67.7	-68.6	-170.8	156.3	0.8	110.5	I43 P47 H67 V158	I43-R45 HydrophobicContact CG2-CG 4.37Å; R45-P47 WeakPolarHBondContact O-CD 3.42Å; R45-H67 WeakPolarHBondContact CA-NE2 3.28Å; R45-V158 PolarHBondContact NH1-O 3.38Å
46	N	93.4	Very high	94.9	Very high	34 Å²	34	79.7 Å²	79.7	18%	0.182	44%	0.444	C	S	.	.			trans	-68.1	120.6	170.3	-176	2.4	0	0	0	109.5	E48 D66 H67 P86	N46-E48 PolarHBondContact ND2-O 2.96Å; N46-E48 PolarHBondContact O-N 2.89Å; N46-E48 PolarHBondContact OD1-N 2.9Å; N46-E48 PolarHBondContact OD1-O 3.32Å; N46-D66 HydrophobicContact CB-CB 4.35Å; N46-H67 PolarHBondContact N-NE2 2.98Å; N46-P86 HydrophobicContact CB-CB 4.13Å; N46-P86 HydrophobicContact CB-CG 4.09Å
47	P	90.4	Very high	94.4	Very high	121 Å²	121	82.8 Å²	82.8	79%	0.786	47%	0.47	S	S	*	.	S	Bend	trans	-67.2	-23.2	178.4	27.7	-35.6	0	0	0	112.8	R45	R45-P47 WeakPolarHBondContact O-CD 3.42Å
48	E	92.4	Very high	94.1	Very high	162 Å²	162	80 Å²	80	76%	0.757	46%	0.458	S	S	*	.	S	Bend	trans	-122.2	87	-177.7	-65.7	-174.8	176.3	0	0	110.6	N46	N46-E48 PolarHBondContact ND2-O 2.96Å; N46-E48 PolarHBondContact O-N 2.89Å; N46-E48 PolarHBondContact OD1-N 2.9Å; N46-E48 PolarHBondContact OD1-O 3.32Å
49	C	91.8	Very high	93.6	Very high	75 Å²	75	84.8 Å²	84.8	51%	0.507	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-70	136.1	176.9	-65.9	0	0	0	0	111.6	D66	C49-D66 WeakPolarHBondContact CB-OD2 3.37Å
50	K	94.5	Very high	93.2	Very high	77 Å²	77	84.8 Å²	84.8	34%	0.335	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-70	150.8	176.8	-67	164.9	-82.3	178.3	0	111	K52 F64 S65 D66 W162	K50-K52 PolarHBondContact O-NZ 3.03Å; K50-F64 PolarHBondContact NZ-O 3.25Å; K50-S65 PolarHBondContact NZ-O 2.76Å; K50-D66 WeakPolarHBondContact CE-OD1 3.42Å; K50-D66 PolarHBondContact N-OD1 2.85Å; K50-W162 HydrophobicContact CB-CH2 4Å; K50-W162 HydrophobicContact CB-CZ2 3.87Å
51	P	94.4	Very high	92.8	Very high	119 Å²	119	82 Å²	82	77%	0.773	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-62	140.1	169.9	27.2	-34.1	0	0	0	110.1
52	K	95.7	Very high	92.5	Very high	86 Å²	86	87.6 Å²	87.6	37%	0.374	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-77.3	131.7	-179.2	-80.1	62.6	-176.9	164.8	0	108.2	K50 D66 W162	K50-K52 PolarHBondContact O-NZ 3.03Å; K52-D66 IonicContact NZ-OD2 3.45Å; K52-D66 PolarHBondContact NZ-OD2 3.33Å; K52-W162 HydrophobicContact CG-CD2 4.41Å
53	P	93.4	Very high	92.4	Very high	33 Å²	33	87.6 Å²	87.6	21%	0.214	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-68.1	154.1	-178.7	29.4	-37	0	0	0	111.8	P55 L58 W162 P200	P53-P55 WeakPolarHBondContact O-CD 3.44Å; P53-L58 HydrophobicContact CB-CD2 3.85Å; P53-L58 HydrophobicContact CG-CD2 3.56Å; P53-W162 HydrophobicContact CG-CZ3 4.31Å; P53-P200 HydrophobicContact CG-CB 4.47Å; P53-P200 HydrophobicContact CG-CG 3.58Å
54	D	91.5	Very high	92.3	Very high	102 Å²	102	87.8 Å²	87.8	55%	0.545	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-62.7	122.7	170.7	-174.9	-27.7	0	0	0	109.9	S56 A57	D54-S56 PolarHBondContact O-N 3.43Å; D54-S56 VanDerWaalsContact O-N 3.1Å; D54-S56 WeakPolarHBondContact OD1-CB 3.35Å; D54-S56 PolarHBondContact OD1-N 3.47Å; D54-S56 PolarHBondContact OD1-OG 3.36Å; D54-S56 PolarHBondContact OD2-OG 2.84Å; D54-A57 PolarHBondContact O-N 3.06Å; D54-A57 VanDerWaalsContact O-N 3.1Å
55	P	88.1	Confident	92.3	Very high	41 Å²	41	82.1 Å²	82.1	27%	0.266	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-53.5	-28.4	178	-28.1	36.4	0	0	0	115	P53 A57 L58 P164	P53-P55 WeakPolarHBondContact O-CD 3.44Å; P55-A57 VanDerWaalsContact C-N 3.33Å; P55-L58 HydrophobicContact CB-CD1 4.39Å; P55-L58 WeakPolarHBondContact O-CG 3.34Å; P55-P164 HydrophobicContact CB-CB 4.45Å; P55-P164 HydrophobicContact CG-CB 4.35Å
56	S	86.1	Confident	92.4	Very high	104 Å²	104	75.7 Å²	75.7	73%	0.727	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-74.4	-20	-178.8	67.9	0	0	0	0	114	D54	D54-S56 PolarHBondContact O-N 3.43Å; D54-S56 VanDerWaalsContact O-N 3.1Å; D54-S56 WeakPolarHBondContact OD1-CB 3.35Å; D54-S56 PolarHBondContact OD1-N 3.47Å; D54-S56 PolarHBondContact OD1-OG 3.36Å; D54-S56 PolarHBondContact OD2-OG 2.84Å
57	A	87.6	Confident	92.7	Very high	70 Å²	70	74.2 Å²	74.2	58%	0.579	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-107.3	9.9	-177	0	0	0	0	0	113.4	D54 P55 M59	D54-A57 PolarHBondContact O-N 3.06Å; D54-A57 VanDerWaalsContact O-N 3.1Å; P55-A57 VanDerWaalsContact C-N 3.33Å; A57-M59 PolarHBondContact O-N 2.9Å
58	L	91.3	Very high	93.1	Very high	18 Å²	18	68.7 Å²	68.7	9%	0.094	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-69.4	121.9	-174.8	-67.5	177.2	0	0	0	112.4	P53 P55 P164 A169 P200	P53-L58 HydrophobicContact CB-CD2 3.85Å; P53-L58 HydrophobicContact CG-CD2 3.56Å; P55-L58 HydrophobicContact CB-CD1 4.39Å; P55-L58 WeakPolarHBondContact O-CG 3.34Å; L58-P164 HydrophobicContact CD1-CG 4.05Å; L58-A169 HydrophobicContact CD1-CB 3.96Å; L58-P200 HydrophobicContact CD1-CB 3.87Å; L58-P200 HydrophobicContact CD2-CB 3.79Å; L58-P200 HydrophobicContact CD2-CG 3.76Å; L58-P200 HydrophobicContact CG-CB 4.5Å
59	M	88	Confident	93.4	Very high	125 Å²	125	61 Å²	61	62%	0.616	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-99.1	140.5	168.9	-68.5	-174.6	-74.3	0	0	111.2	A57 G61 K62	A57-M59 PolarHBondContact O-N 2.9Å; M59-G61 PolarHBondContact O-N 3.3Å; M59-K62 HydrophobicContact CB-CB 4.13Å; M59-K62 HydrophobicContact CB-CG 3.77Å; M59-K62 HydrophobicContact CE-CG 4.3Å; M59-K62 PolarHBondContact O-N 2.82Å
60	F	89.6	Confident	93.7	Very high	93 Å²	93	57.7 Å²	57.7	41%	0.408	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	121.2	179.2	-176.1	-95.1	0	0	0	112	K62 Y172 V201 A345	F60-K62 VanDerWaalsContact C-N 3.35Å; F60-K62 PolarHBondContact O-N 3.42Å; F60-Y172 AromaticContact CE2-CD2 3.69Å; F60-Y172 HydrophobicContact CE2-CD2 3.69Å; F60-Y172 AromaticContact CE2-CE2 3.83Å; F60-Y172 HydrophobicContact CE2-CE2 3.83Å; F60-Y172 HydrophobicContact CE2-CG 4.16Å; F60-Y172 HydrophobicContact CZ-CD2 4.15Å; F60-Y172 AromaticContact CZ-CE2 3.89Å; F60-Y172 HydrophobicContact CZ-CE2 3.89Å; F60-V201 HydrophobicContact CD2-CB 4.16Å; F60-V201 HydrophobicContact CD2-CG1 3.75Å; F60-V201 HydrophobicContact CE2-CG1 4.27Å; F60-V201 HydrophobicContact CG-CG1 4.46Å; F60-A345 HydrophobicContact CE2-CB 4.28Å
61	G	90.3	Very high	93.9	Very high	37 Å²	37	54 Å²	54	38%	0.381	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	24.5	170.7	0	0	0	0	0	115.6	M59	M59-G61 PolarHBondContact O-N 3.3Å
62	K	92.8	Very high	94.1	Very high	150 Å²	150	50.9 Å²	50.9	65%	0.652	28%	0.283	S	S	*	.	S	Bend	trans	-106.4	-20.7	179	-64.6	-60.7	-174.3	178.2	0	114.5	M59 F60	M59-K62 HydrophobicContact CB-CB 4.13Å; M59-K62 HydrophobicContact CB-CG 3.77Å; M59-K62 HydrophobicContact CE-CG 4.3Å; M59-K62 PolarHBondContact O-N 2.82Å; F60-K62 VanDerWaalsContact C-N 3.35Å; F60-K62 PolarHBondContact O-N 3.42Å
63	Q	95.2	Very high	94.2	Very high	72 Å²	72	47.8 Å²	47.8	34%	0.336	27%	0.269	S	S	.	.			trans	-122.1	142.4	-179.8	-70	168.5	-23.6	0	0	109.2	G199 P200	Q63-G199 VanDerWaalsContact O-CA 3.3Å; Q63-G199 WeakPolarHBondContact O-CA 3.26Å; Q63-P200 HydrophobicContact CB-CG 4.35Å
64	F	97.6	Very high	94.5	Very high	69 Å²	69	47.2 Å²	47.2	30%	0.303	27%	0.266	S	S	.	.			trans	-131.2	146.9	-177.4	-58.4	-78.9	0	0	0	109.8	K50 F87 W162 I197 I198	K50-F64 PolarHBondContact NZ-O 3.25Å; F64-F87 HydrophobicContact CB-CD2 3.92Å; F64-F87 HydrophobicContact CB-CE2 3.57Å; F64-F87 HydrophobicContact CB-CZ 4.01Å; F64-F87 HydrophobicContact CD1-CE2 4.13Å; F64-F87 HydrophobicContact CD2-CE2 4.29Å; F64-F87 HydrophobicContact CD2-CZ 4.01Å; F64-F87 AromaticContact CG-CE2 3.73Å; F64-F87 HydrophobicContact CG-CE2 3.73Å; F64-F87 AromaticContact CG-CZ 3.94Å; F64-F87 HydrophobicContact CG-CZ 3.94Å; F64-W162 WeakPolarHBondContact O-CH2 3.37Å; F64-I197 HydrophobicContact CD1-CB 4.28Å; F64-I197 HydrophobicContact CD1-CD1 4.01Å; F64-I197 HydrophobicContact CD1-CG1 4.29Å; F64-I197 HydrophobicContact CE1-CD1 3.58Å; F64-I197 HydrophobicContact CE1-CG1 4.2Å; F64-I197 HydrophobicContact CZ-CD1 4.36Å; F64-I198 WeakPolarHBondContact CA-O 3.47Å
65	S	97.9	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.			trans	-69.6	-179.1	-178.4	72.6	0	0	0	0	113.3	K50 H67 D159 I198	K50-S65 PolarHBondContact NZ-O 2.76Å; S65-H67 VanDerWaalsContact C-N 3.31Å; S65-H67 PolarHBondContact O-N 3.22Å; S65-H67 PolarHBondContact OG-O 2.89Å; S65-D159 WeakPolarHBondContact CB-OD2 3.31Å; S65-D159 PolarHBondContact OG-OD2 2.69Å; S65-I198 PolarHBondContact N-O 3.1Å; S65-I198 WeakPolarHBondContact OG-CD1 3.35Å; S65-I198 WeakPolarHBondContact OG-CG1 3.26Å
66	D	98.4	Very high	95	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.011	30%	0.296	C	S	.	.	S	Bend	trans	-72.3	-24.9	-174.5	-64.1	-47.2	0	0	0	112.8	N46 C49 K50 K52 P86 F87 D159 W162	N46-D66 HydrophobicContact CB-CB 4.35Å; C49-D66 WeakPolarHBondContact CB-OD2 3.37Å; K50-D66 WeakPolarHBondContact CE-OD1 3.42Å; K50-D66 PolarHBondContact N-OD1 2.85Å; K52-D66 IonicContact NZ-OD2 3.45Å; K52-D66 PolarHBondContact NZ-OD2 3.33Å; D66-P86 WeakPolarHBondContact O-CA 3.16Å; D66-F87 PolarHBondContact O-N 2.89Å; D66-D159 PolarHBondContact N-OD2 3.05Å; D66-W162 PolarHBondContact OD2-NE1 2.77Å
67	H	98.8	Very high	95.5	Very high	3 Å²	3	56 Å²	56	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	165	-175.3	-51.3	82.9	0	0	0	113.2	E44 R45 N46 S65 I84 K85 L155 V158 D159	E44-H67 PolarHBondContact O-CD2 3.12Å; R45-H67 WeakPolarHBondContact CA-NE2 3.28Å; N46-H67 PolarHBondContact N-NE2 2.98Å; S65-H67 VanDerWaalsContact C-N 3.31Å; S65-H67 PolarHBondContact O-N 3.22Å; S65-H67 PolarHBondContact OG-O 2.89Å; H67-I84 HydrophobicContact CB-CG2 3.84Å; H67-K85 CarbonylContact C-O 3.47Å; H67-K85 VanDerWaalsContact CA-O 3.22Å; H67-K85 WeakPolarHBondContact CA-O 3.45Å; H67-K85 WeakPolarHBondContact CB-O 3.39Å; H67-L155 HydrophobicContact CB-CD1 3.93Å; H67-V158 HydrophobicContact CB-CG1 4.21Å; H67-V158 WeakPolarHBondContact ND1-CG1 3.49Å; H67-D159 WeakPolarHBondContact CB-OD2 3.44Å; H67-D159 IonicContact CE1-OD1 3.11Å; H67-D159 PolarHBondContact CE1-OD1 2.91Å; H67-D159 IonicContact CG-OD1 2.7Å; H67-D159 IonicContact CG-OD2 3.25Å; H67-D159 PolarHBondContact N-OD2 2.78Å; H67-D159 IonicContact ND1-OD1 2.88Å; H67-D159 PolarHBondContact ND1-OD1 2.81Å; H67-D159 IonicContact ND1-OD2 3.29Å; H67-D159 PolarHBondContact ND1-OD2 2.75Å
68	M	98.9	Very high	96	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.5	169.2	65.5	-178.5	-59.8	0	0	110.4	T70 I84 K85 Q88 L90 F195 V196 I197	M68-T70 HydrophobicContact CE-CG2 3.77Å; M68-T70 HydrophobicContact CG-CG2 4.37Å; M68-T70 HydrophobicContact SD-CG2 4.37Å; M68-I84 WeakPolarHBondContact O-CA 3.46Å; M68-K85 HydrophobicContact CG-CG 4.49Å; M68-K85 PolarHBondContact N-O 3.1Å; M68-K85 PolarHBondContact O-N 2.83Å; M68-Q88 HydrophobicContact SD-CG 4.24Å; M68-L90 HydrophobicContact CE-CD2 4.14Å; M68-F195 HydrophobicContact CE-CB 3.87Å; M68-F195 HydrophobicContact CE-CD2 4.02Å; M68-F195 HydrophobicContact CE-CG 4.22Å; M68-V196 WeakPolarHBondContact CA-O 3.31Å; M68-V196 WeakPolarHBondContact CB-O 3.39Å; M68-I197 HydrophobicContact CB-CG2 4.11Å; M68-I197 HydrophobicContact CE-CG2 4.11Å
69	L	98.9	Very high	96.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139.1	168.6	178.9	68.1	0	0	0	109.2	L41 I71 P82 Q83 I84 L148 C151 L155 F195 V196	L41-L69 HydrophobicContact CD1-CD1 3.94Å; L69-I71 HydrophobicContact CD1-CG1 4.35Å; L69-I71 HydrophobicContact CD2-CD1 4.22Å; L69-I71 HydrophobicContact CG-CD1 4.45Å; L69-I71 HydrophobicContact CG-CG1 4.22Å; L69-P82 HydrophobicContact CD1-CB 4.19Å; L69-Q83 CarbonylContact C-O 3.56Å; L69-Q83 WeakPolarHBondContact CA-O 3.36Å; L69-I84 HydrophobicContact CD1-CG1 4.01Å; L69-L148 HydrophobicContact CD2-CD1 4.13Å; L69-C151 HydrophobicContact CD1-CB 4.06Å; L69-C151 HydrophobicContact CD2-CB 3.56Å; L69-C151 HydrophobicContact CG-CB 4.5Å; L69-L155 HydrophobicContact CB-CD2 4.07Å; L69-F195 CarbonylContact O-C 3.6Å; L69-F195 WeakPolarHBondContact O-CA 3.46Å; L69-F195 VanDerWaalsContact O-CB 3.31Å; L69-F195 WeakPolarHBondContact O-CB 3.44Å; L69-V196 HydrophobicContact CB-CB 3.89Å; L69-V196 HydrophobicContact CB-CG2 4.08Å; L69-V196 HydrophobicContact CD2-CB 4.4Å; L69-V196 HydrophobicContact CD2-CG2 3.72Å; L69-V196 HydrophobicContact CG-CG2 4.38Å; L69-V196 PolarHBondContact N-O 2.62Å; L69-V196 PolarHBondContact O-N 2.88Å
70	T	98.9	Very high	96.8	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.5	168.9	57.5	0	0	0	0	111.2	M68 Q83 K85 I194 F195	M68-T70 HydrophobicContact CE-CG2 3.77Å; M68-T70 HydrophobicContact CG-CG2 4.37Å; M68-T70 HydrophobicContact SD-CG2 4.37Å; T70-Q83 PolarHBondContact N-O 3.2Å; T70-Q83 PolarHBondContact O-N 2.75Å; T70-K85 VanDerWaalsContact OG1-CE 3.23Å; T70-K85 WeakPolarHBondContact OG1-CE 3.4Å; T70-K85 PolarHBondContact OG1-NZ 3.1Å; T70-I194 CarbonylContact C-O 3.42Å; T70-I194 WeakPolarHBondContact CA-O 3.4Å; T70-F195 HydrophobicContact CG2-CB 4.15Å
71	I	98.8	Very high	97.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	112.5	177.2	-38	179	0	0	0	108.4	F36 L69 W79 D80 P82 L148 I194	F36-I71 HydrophobicContact CB-CG2 4.09Å; F36-I71 HydrophobicContact CD1-CD1 4.05Å; F36-I71 HydrophobicContact CD1-CG2 3.68Å; F36-I71 HydrophobicContact CD2-CD1 3.74Å; F36-I71 HydrophobicContact CE1-CD1 3.73Å; F36-I71 HydrophobicContact CE1-CG2 4.21Å; F36-I71 HydrophobicContact CE2-CD1 3.42Å; F36-I71 VanDerWaalsContact CE2-CD1 3.42Å; F36-I71 HydrophobicContact CG-CD1 4.04Å; F36-I71 HydrophobicContact CG-CG2 3.86Å; F36-I71 HydrophobicContact CZ-CD1 3.41Å; F36-I71 VanDerWaalsContact CZ-CD1 3.41Å; L69-I71 HydrophobicContact CD1-CG1 4.35Å; L69-I71 HydrophobicContact CD2-CD1 4.22Å; L69-I71 HydrophobicContact CG-CD1 4.45Å; L69-I71 HydrophobicContact CG-CG1 4.22Å; I71-W79 HydrophobicContact CB-CE3 4.4Å; I71-W79 HydrophobicContact CB-CZ3 4.31Å; I71-W79 HydrophobicContact CG2-CE3 3.67Å; I71-W79 HydrophobicContact CG2-CZ3 4.06Å; I71-D80 WeakPolarHBondContact CG2-O 3.46Å; I71-P82 HydrophobicContact CD1-CB 3.82Å; I71-P82 HydrophobicContact CG1-CB 3.77Å; I71-P82 HydrophobicContact CG2-CB 4.4Å; I71-L148 HydrophobicContact CD1-CD1 4.19Å; I71-I194 HydrophobicContact CB-CB 4.31Å; I71-I194 HydrophobicContact CD1-CG2 4.49Å; I71-I194 PolarHBondContact N-O 3.26Å; I71-I194 PolarHBondContact O-N 3Å
72	S	98.6	Very high	97.6	Very high	52 Å²	52	47.9 Å²	47.9	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	153.1	179.7	-66.5	0	0	0	0	111	D80	S72-D80 VanDerWaalsContact CB-OD2 3.24Å; S72-D80 WeakPolarHBondContact CB-OD2 3.33Å; S72-D80 PolarHBondContact O-N 3.27Å
73	W	98.6	Very high	97.9	Very high	22 Å²	22	44.8 Å²	44.8	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.2	172.2	180	92.3	0	0	0	111.4	E75 G78 W79 P141 A189 G190 K191 A192	W73-E75 VanDerWaalsContact CH2-CA 3.49Å; W73-E75 HydrophobicContact CH2-CB 3.73Å; W73-E75 HydrophobicContact CH2-CG 4.4Å; W73-E75 HydrophobicContact CZ2-CB 4.32Å; W73-E75 HydrophobicContact CZ3-CB 4.25Å; W73-G78 VanDerWaalsContact CA-O 3.3Å; W73-G78 WeakPolarHBondContact CA-O 3.39Å; W73-G78 VanDerWaalsContact CD1-O 3.28Å; W73-W79 HydrophobicContact CB-CD2 4Å; W73-W79 HydrophobicContact CB-CE3 3.66Å; W73-W79 HydrophobicContact CB-CH2 4.14Å; W73-W79 HydrophobicContact CB-CZ2 4.46Å; W73-W79 HydrophobicContact CB-CZ3 3.74Å; W73-W79 AromaticContact CD1-CD1 3.77Å; W73-W79 AromaticContact CD1-CD2 3.59Å; W73-W79 AromaticContact CD1-CE2 3.67Å; W73-W79 AromaticContact CD1-CG 3.67Å; W73-W79 AromaticContact CD1-NE1 3.78Å; W73-W79 HydrophobicContact CG-CD2 4.15Å; W73-W79 HydrophobicContact CG-CE3 4.31Å; W73-P141 HydrophobicContact CB-CG 4.07Å; W73-P141 HydrophobicContact CD2-CB 3.62Å; W73-P141 HydrophobicContact CD2-CG 3.35Å; W73-P141 HydrophobicContact CE3-CB 4.15Å; W73-P141 HydrophobicContact CE3-CG 3.59Å; W73-P141 HydrophobicContact CG-CB 3.91Å; W73-P141 HydrophobicContact CG-CG 3.55Å; W73-P141 HydrophobicContact CH2-CB 4.26Å; W73-P141 HydrophobicContact CH2-CG 4.46Å; W73-P141 HydrophobicContact CZ2-CB 3.77Å; W73-P141 HydrophobicContact CZ2-CG 4.29Å; W73-P141 HydrophobicContact CZ3-CB 4.42Å; W73-P141 HydrophobicContact CZ3-CG 4.12Å; W73-A189 WeakPolarHBondContact CZ3-O 3.22Å; W73-G190 VanDerWaalsContact CZ3-C 3.48Å; W73-G190 WeakPolarHBondContact CZ3-O 3.4Å; W73-K191 WeakPolarHBondContact O-CA 3.31Å; W73-A192 HydrophobicContact CB-CB 4.42Å; W73-A192 HydrophobicContact CE3-CB 4.19Å; W73-A192 PolarHBondContact N-O 3.5Å; W73-A192 PolarHBondContact O-N 3.08Å
74	S	98	Very high	98.1	Very high	21 Å²	21	41.4 Å²	41.4	15%	0.147	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.2	166.4	88	0	0	0	0	111.1	K76 D77 G78 G190	S74-K76 PolarHBondContact O-N 3.38Å; S74-K76 PolarHBondContact OG-N 3.01Å; S74-D77 WeakPolarHBondContact OG-CB 3.49Å; S74-D77 PolarHBondContact OG-N 2.82Å; S74-D77 PolarHBondContact OG-OD2 3.04Å; S74-G78 PolarHBondContact N-O 3.32Å; S74-G78 VanDerWaalsContact O-CA 3.28Å; S74-G78 WeakPolarHBondContact O-CA 3.23Å; S74-G78 PolarHBondContact O-N 3.24Å; S74-G190 CarbonylContact C-O 3.52Å; S74-G190 WeakPolarHBondContact CA-O 3.3Å
75	E	95.9	Very high	98.1	Very high	137 Å²	137	40 Å²	40	64%	0.64	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.6	175.2	-176.3	169.7	-153.5	0	0	112.2	W73 G190	W73-E75 VanDerWaalsContact CH2-CA 3.49Å; W73-E75 HydrophobicContact CH2-CB 3.73Å; W73-E75 HydrophobicContact CH2-CG 4.4Å; W73-E75 HydrophobicContact CZ2-CB 4.32Å; W73-E75 HydrophobicContact CZ3-CB 4.25Å; E75-G190 PolarHBondContact N-O 2.69Å
76	K	95.5	Very high	98.2	Very high	184 Å²	184	41.1 Å²	41.1	80%	0.8	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-47.3	-178.9	-175.5	-169	168.2	-166.1	0	112.2	S74	S74-K76 PolarHBondContact O-N 3.38Å; S74-K76 PolarHBondContact OG-N 3.01Å
77	D	96.1	Very high	98.2	Very high	111 Å²	111	44.5 Å²	44.5	59%	0.594	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-11.8	-165.8	-51.5	-56.5	0	0	0	112.5	S74	S74-D77 WeakPolarHBondContact OG-CB 3.49Å; S74-D77 PolarHBondContact OG-N 2.82Å; S74-D77 PolarHBondContact OG-OD2 3.04Å
78	G	97.3	Very high	98.1	Very high	9 Å²	9	48.8 Å²	48.8	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-146.9	-176.6	0	0	0	0	0	112.1	W73 S74	W73-G78 VanDerWaalsContact CA-O 3.3Å; W73-G78 WeakPolarHBondContact CA-O 3.39Å; W73-G78 VanDerWaalsContact CD1-O 3.28Å; S74-G78 PolarHBondContact N-O 3.32Å; S74-G78 VanDerWaalsContact O-CA 3.28Å; S74-G78 WeakPolarHBondContact O-CA 3.23Å; S74-G78 PolarHBondContact O-N 3.24Å
79	W	98.4	Very high	98.1	Very high	27 Å²	27	55.6 Å²	55.6	10%	0.102	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.7	178.4	-74.1	106	0	0	0	111.2	F36 I71 W73 P141 L142 F143 F177 I194	F36-W79 HydrophobicContact CB-CB 3.99Å; F36-W79 HydrophobicContact CB-CG 4.49Å; F36-W79 HydrophobicContact CD1-CB 4.2Å; F36-W79 AromaticContact CD1-CD2 3.58Å; F36-W79 HydrophobicContact CD1-CD2 3.58Å; F36-W79 AromaticContact CD1-CE3 3.66Å; F36-W79 HydrophobicContact CD1-CE3 3.66Å; F36-W79 AromaticContact CD1-CG 3.83Å; F36-W79 HydrophobicContact CD1-CG 3.83Å; F36-W79 HydrophobicContact CD1-CZ3 4.27Å; F36-W79 HydrophobicContact CE1-CD2 4.11Å; F36-W79 HydrophobicContact CE1-CE3 4.07Å; F36-W79 HydrophobicContact CE1-CH2 4.4Å; F36-W79 HydrophobicContact CE1-CZ2 4.41Å; F36-W79 HydrophobicContact CE1-CZ3 4.22Å; I71-W79 HydrophobicContact CB-CE3 4.4Å; I71-W79 HydrophobicContact CB-CZ3 4.31Å; I71-W79 HydrophobicContact CG2-CE3 3.67Å; I71-W79 HydrophobicContact CG2-CZ3 4.06Å; W73-W79 HydrophobicContact CB-CD2 4Å; W73-W79 HydrophobicContact CB-CE3 3.66Å; W73-W79 HydrophobicContact CB-CH2 4.14Å; W73-W79 HydrophobicContact CB-CZ2 4.46Å; W73-W79 HydrophobicContact CB-CZ3 3.74Å; W73-W79 AromaticContact CD1-CD1 3.77Å; W73-W79 AromaticContact CD1-CD2 3.59Å; W73-W79 AromaticContact CD1-CE2 3.67Å; W73-W79 AromaticContact CD1-CG 3.67Å; W73-W79 AromaticContact CD1-NE1 3.78Å; W73-W79 HydrophobicContact CG-CD2 4.15Å; W73-W79 HydrophobicContact CG-CE3 4.31Å; W79-P141 HydrophobicContact CH2-CG 4.21Å; W79-P141 HydrophobicContact CZ2-CB 4.07Å; W79-P141 HydrophobicContact CZ2-CG 3.9Å; W79-L142 PolarHBondContact NE1-O 2.89Å; W79-F143 HydrophobicContact CZ2-CB 3.98Å; W79-F143 HydrophobicContact CZ2-CD1 4.46Å; W79-F177 HydrophobicContact CH2-CE1 4.31Å; W79-F177 AromaticContact CH2-CE2 3.8Å; W79-F177 HydrophobicContact CH2-CE2 3.8Å; W79-F177 AromaticContact CH2-CZ 3.47Å; W79-F177 HydrophobicContact CH2-CZ 3.47Å; W79-F177 VanDerWaalsContact CH2-CZ 3.47Å; W79-F177 AromaticContact CZ2-CZ 3.89Å; W79-F177 HydrophobicContact CZ2-CZ 3.89Å; W79-I194 HydrophobicContact CH2-CD1 3.32Å; W79-I194 HydrophobicContact CH2-CG1 3.72Å; W79-I194 HydrophobicContact CZ2-CD1 4.11Å; W79-I194 HydrophobicContact CZ3-CD1 3.83Å; W79-I194 HydrophobicContact CZ3-CG1 4.03Å
80	D	98.3	Very high	98.1	Very high	86 Å²	86	58.7 Å²	58.7	46%	0.46	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-75	164	167.8	-70.4	-24.8	0	0	0	111	I71 S72	I71-D80 WeakPolarHBondContact CG2-O 3.46Å; S72-D80 VanDerWaalsContact CB-OD2 3.24Å; S72-D80 WeakPolarHBondContact CB-OD2 3.33Å; S72-D80 PolarHBondContact O-N 3.27Å
81	A	98.2	Very high	98.1	Very high	49 Å²	49	64.4 Å²	64.4	41%	0.405	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-59.6	138.3	171.7	0	0	0	0	0	110.8	D40	D40-A81 HydrophobicContact CB-CB 4.24Å
82	P	98.8	Very high	98.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-70.9	148.6	-179.8	28.3	-28.3	0	0	0	110.6	F36 K37 L41 T42 L69 I71	F36-P82 HydrophobicContact CD2-CG 4.37Å; K37-P82 WeakPolarHBondContact O-CD 3.38Å; K37-P82 WeakPolarHBondContact O-CG 3.42Å; L41-P82 WeakPolarHBondContact CA-O 3.28Å; L41-P82 HydrophobicContact CB-CG 4.03Å; L41-P82 HydrophobicContact CD1-CB 3.81Å; L41-P82 HydrophobicContact CD1-CG 4Å; L41-P82 WeakPolarHBondContact CD1-O 3.44Å; T42-P82 PolarHBondContact N-O 2.88Å; T42-P82 PolarHBondContact OG1-O 3.32Å; L69-P82 HydrophobicContact CD1-CB 4.19Å; I71-P82 HydrophobicContact CD1-CB 3.82Å; I71-P82 HydrophobicContact CG1-CB 3.77Å; I71-P82 HydrophobicContact CG2-CB 4.4Å
83	Q	98.9	Very high	98.1	Very high	85 Å²	85	69.1 Å²	69.1	40%	0.397	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.9	-177.2	-52.4	-173.8	-42.2	0	0	110.8	L69 T70	L69-Q83 CarbonylContact C-O 3.56Å; L69-Q83 WeakPolarHBondContact CA-O 3.36Å; T70-Q83 PolarHBondContact N-O 3.2Å; T70-Q83 PolarHBondContact O-N 2.75Å
84	I	98.9	Very high	98.1	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.7	160.1	-70.7	162.7	0	0	0	107.2	L41 T42 I43 E44 H67 M68 L69 K154 L155 V158	L41-I84 HydrophobicContact CD1-CD1 4.23Å; L41-I84 HydrophobicContact CD1-CG1 4.06Å; L41-I84 HydrophobicContact CD2-CD1 3.82Å; L41-I84 HydrophobicContact CG-CD1 4.38Å; T42-I84 PolarHBondContact O-N 2.73Å; I43-I84 CarbonylContact C-O 3.56Å; I43-I84 WeakPolarHBondContact CA-O 3.27Å; I43-I84 HydrophobicContact CG1-CB 4.3Å; I43-I84 HydrophobicContact CG1-CD1 4.38Å; I43-I84 HydrophobicContact CG2-CB 4.37Å; I43-I84 HydrophobicContact CG2-CG2 4.18Å; E44-I84 PolarHBondContact N-O 3.34Å; H67-I84 HydrophobicContact CB-CG2 3.84Å; M68-I84 WeakPolarHBondContact O-CA 3.46Å; L69-I84 HydrophobicContact CD1-CG1 4.01Å; I84-K154 HydrophobicContact CD1-CB 4.05Å; I84-K154 HydrophobicContact CD1-CG 3.92Å; I84-L155 HydrophobicContact CD1-CB 4.02Å; I84-L155 HydrophobicContact CG1-CB 4.27Å; I84-L155 HydrophobicContact CG1-CD1 4.27Å; I84-L155 HydrophobicContact CG2-CD1 4Å; I84-V158 HydrophobicContact CD1-CG2 4.22Å; I84-V158 HydrophobicContact CG2-CG1 4.02Å; I84-V158 HydrophobicContact CG2-CG2 4.39Å
85	K	98.6	Very high	98.1	Very high	41 Å²	41	72.5 Å²	72.5	18%	0.178	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	168.4	-176.4	66.7	-172.6	-179	-168.5	0	111.2	E44 H67 M68 T70 F87	E44-K85 HydrophobicContact CB-CB 4.21Å; H67-K85 CarbonylContact C-O 3.47Å; H67-K85 VanDerWaalsContact CA-O 3.22Å; H67-K85 WeakPolarHBondContact CA-O 3.45Å; H67-K85 WeakPolarHBondContact CB-O 3.39Å; M68-K85 HydrophobicContact CG-CG 4.49Å; M68-K85 PolarHBondContact N-O 3.1Å; M68-K85 PolarHBondContact O-N 2.83Å; T70-K85 VanDerWaalsContact OG1-CE 3.23Å; T70-K85 WeakPolarHBondContact OG1-CE 3.4Å; T70-K85 PolarHBondContact OG1-NZ 3.1Å; K85-F87 PolarHBondContact O-N 2.92Å
86	P	98.6	Very high	98.2	Very high	23 Å²	23	66 Å²	66	15%	0.149	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	139.5	177.6	-26.6	36.2	0	0	0	111.9	E44 N46 D66 Q88	E44-P86 HydrophobicContact CG-CG 4.42Å; E44-P86 WeakPolarHBondContact O-CD 3.45Å; N46-P86 HydrophobicContact CB-CB 4.13Å; N46-P86 HydrophobicContact CB-CG 4.09Å; D66-P86 WeakPolarHBondContact O-CA 3.16Å; P86-Q88 PolarHBondContact O-N 3.26Å; P86-Q88 PolarHBondContact O-NE2 2.87Å
87	F	98.4	Very high	98.4	Very high	72 Å²	72	57.4 Å²	57.4	32%	0.316	32%	0.318	S	S	.	.			trans	-56.3	127.8	176.7	-178.4	-80.3	0	0	0	110.1	F64 D66 K85 I197	F64-F87 HydrophobicContact CB-CD2 3.92Å; F64-F87 HydrophobicContact CB-CE2 3.57Å; F64-F87 HydrophobicContact CB-CZ 4.01Å; F64-F87 HydrophobicContact CD1-CE2 4.13Å; F64-F87 HydrophobicContact CD2-CE2 4.29Å; F64-F87 HydrophobicContact CD2-CZ 4.01Å; F64-F87 AromaticContact CG-CE2 3.73Å; F64-F87 HydrophobicContact CG-CE2 3.73Å; F64-F87 AromaticContact CG-CZ 3.94Å; F64-F87 HydrophobicContact CG-CZ 3.94Å; D66-F87 PolarHBondContact O-N 2.89Å; K85-F87 PolarHBondContact O-N 2.92Å; F87-I197 HydrophobicContact CD2-CG2 4.19Å; F87-I197 HydrophobicContact CE2-CB 4.25Å; F87-I197 HydrophobicContact CE2-CG2 3.74Å
88	Q	98	Very high	98.5	Very high	93 Å²	93	52.5 Å²	52.5	44%	0.435	29%	0.292	S	S	.	.			trans	-151.9	164.6	-175.7	65.9	-168.9	-84.4	0	0	112	M68 P86	M68-Q88 HydrophobicContact SD-CG 4.24Å; P86-Q88 PolarHBondContact O-N 3.26Å; P86-Q88 PolarHBondContact O-NE2 2.87Å
89	N	98.7	Very high	98.6	Very high	147 Å²	147	57.1 Å²	57.1	79%	0.786	31%	0.314	S	S	*	.			trans	-66.6	149.3	171.9	-71.6	-9.1	0	0	0	111.1
90	L	98.7	Very high	98.6	Very high	65 Å²	65	60.1 Å²	60.1	34%	0.34	33%	0.329	S	S	.	.			trans	-82	125	172.2	-59.4	-179.1	0	0	0	110.1	M68 L92 I178 L193 F195	M68-L90 HydrophobicContact CE-CD2 4.14Å; L90-L92 HydrophobicContact CB-CD1 4.4Å; L90-L92 HydrophobicContact CB-CD2 4.27Å; L90-L92 HydrophobicContact CB-CG 4.03Å; L90-L92 PolarHBondContact O-N 2.78Å; L90-I178 HydrophobicContact CD1-CD1 4.34Å; L90-L193 HydrophobicContact CD1-CD2 4.23Å; L90-L193 HydrophobicContact CD2-CD2 3.95Å; L90-F195 HydrophobicContact CD1-CD1 3.99Å; L90-F195 HydrophobicContact CD1-CE1 3.68Å; L90-F195 HydrophobicContact CD1-CZ 4.01Å
91	S	98.4	Very high	98.6	Very high	126 Å²	126	60.2 Å²	60.2	88%	0.881	32%	0.324	S	S	*	.			trans	-88.1	98.8	168.8	-179.8	0	0	0	0	109.4
92	L	98.6	Very high	98.6	Very high	54 Å²	54	59.6 Å²	59.6	28%	0.283	32%	0.317	S	S	.	.			trans	-108.3	146.6	-178.7	-57.7	177.9	0	0	0	111	L90 I178 T180	L90-L92 HydrophobicContact CB-CD1 4.4Å; L90-L92 HydrophobicContact CB-CD2 4.27Å; L90-L92 HydrophobicContact CB-CG 4.03Å; L90-L92 PolarHBondContact O-N 2.78Å; L92-I178 HydrophobicContact CD1-CD1 4.04Å; L92-I178 HydrophobicContact CD2-CD1 4.15Å; L92-T180 HydrophobicContact CD2-CG2 3.99Å
93	H	98.6	Very high	98.5	Very high	99 Å²	99	61 Å²	61	46%	0.458	32%	0.324	S	S	.	.			trans	-64.4	137.6	168.1	-173.9	-90.3	0	0	0	108.8	A95 S96 P182	H93-A95 VanDerWaalsContact ND1-CB 3.34Å; H93-A95 WeakPolarHBondContact ND1-CB 3.4Å; H93-A95 PolarHBondContact ND1-N 2.79Å; H93-A95 PolarHBondContact O-N 3.01Å; H93-S96 VanDerWaalsContact O-CB 3.27Å; H93-S96 WeakPolarHBondContact O-CB 3.44Å; H93-S96 PolarHBondContact O-N 2.9Å; H93-S96 PolarHBondContact O-OG 3.49Å; H93-P182 HydrophobicContact CB-CB 4.02Å
94	P	98.6	Very high	98.5	Very high	101 Å²	101	60 Å²	60	66%	0.656	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.1	-176.9	-27.5	35.6	0	0	0	114.3	S96 H100	P94-S96 VanDerWaalsContact C-N 3.33Å; P94-H100 PolarHBondContact O-NE2 2.84Å
95	A	98.4	Very high	98.6	Very high	13 Å²	13	60.1 Å²	60.1	11%	0.107	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	8.3	175.3	0	0	0	0	0	114.6	H93 S97 E181 L184	H93-A95 VanDerWaalsContact ND1-CB 3.34Å; H93-A95 WeakPolarHBondContact ND1-CB 3.4Å; H93-A95 PolarHBondContact ND1-N 2.79Å; H93-A95 PolarHBondContact O-N 3.01Å; A95-S97 PolarHBondContact O-N 3.47Å; A95-E181 CarbonylContact C-O 3.32Å; A95-L184 HydrophobicContact CB-CD2 3.93Å; A95-L184 HydrophobicContact CB-CG 4.31Å
96	S	98.7	Very high	98.6	Very high	1 Å²	1	60 Å²	60	1%	0.007	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-54.9	125.1	-179.9	-76.5	0	0	0	0	111.8	H93 P94 A98 L99 H100 T180 E181	H93-S96 VanDerWaalsContact O-CB 3.27Å; H93-S96 WeakPolarHBondContact O-CB 3.44Å; H93-S96 PolarHBondContact O-N 2.9Å; H93-S96 PolarHBondContact O-OG 3.49Å; P94-S96 VanDerWaalsContact C-N 3.33Å; S96-A98 PolarHBondContact O-N 3.27Å; S96-L99 WeakPolarHBondContact O-CB 3.41Å; S96-L99 PolarHBondContact O-N 3.43Å; S96-H100 PolarHBondContact O-CD2 2.94Å; S96-T180 PolarHBondContact OG-O 2.9Å; S96-E181 VanDerWaalsContact CA-O 3.24Å; S96-E181 WeakPolarHBondContact CA-O 3.43Å
97	S	98.6	Very high	98.6	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-27	-171.6	58.6	0	0	0	0	115.4	A95 L99 H100 Y101 G179 E181	A95-S97 PolarHBondContact O-N 3.47Å; S97-L99 VanDerWaalsContact C-N 3.28Å; S97-L99 PolarHBondContact O-N 2.81Å; S97-H100 PolarHBondContact O-N 2.8Å; S97-Y101 PolarHBondContact O-N 3.25Å; S97-G179 PolarHBondContact OG-O 3.15Å; S97-E181 PolarHBondContact N-O 3.05Å
98	A	98.6	Very high	98.6	Very high	7 Å²	7	55.6 Å²	55.6	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-37.9	171.2	0	0	0	0	0	113.1	S96 H100 S102 E104 I178 G179	S96-A98 PolarHBondContact O-N 3.27Å; A98-H100 VanDerWaalsContact C-N 3.33Å; A98-H100 PolarHBondContact O-N 2.83Å; A98-S102 PolarHBondContact O-N 3.07Å; A98-E104 HydrophobicContact CB-CB 4.39Å; A98-I178 HydrophobicContact CB-CB 3.78Å; A98-I178 HydrophobicContact CB-CG2 4.2Å; A98-G179 WeakPolarHBondContact CB-O 3.35Å; A98-G179 PolarHBondContact N-O 2.75Å; A98-G179 VanDerWaalsContact N-O 3.07Å
99	L	98.7	Very high	98.6	Very high	106 Å²	106	51.3 Å²	51.3	56%	0.555	28%	0.278	S	S	*	.	H	α-helix	trans	-73.6	-24.1	-178.5	-55.3	178.1	0	0	0	113.2	S96 S97	S96-L99 WeakPolarHBondContact O-CB 3.41Å; S96-L99 PolarHBondContact O-N 3.43Å; S97-L99 VanDerWaalsContact C-N 3.28Å; S97-L99 PolarHBondContact O-N 2.81Å
100	H	98.5	Very high	98.6	Very high	91 Å²	91	45 Å²	45	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-108.6	-38.3	-172.5	-65.8	-84.9	0	0	0	113.3	P94 S96 S97 A98	P94-H100 PolarHBondContact O-NE2 2.84Å; S96-H100 PolarHBondContact O-CD2 2.94Å; S97-H100 PolarHBondContact O-N 2.8Å; A98-H100 VanDerWaalsContact C-N 3.33Å; A98-H100 PolarHBondContact O-N 2.83Å
101	Y	98.2	Very high	98.6	Very high	88 Å²	88	41.9 Å²	41.9	35%	0.345	23%	0.228	S	C	.	.	H	α-helix	trans	-124.9	10.5	-170.2	-50.4	-53.1	0	0	0	113.3	S97 I103 L184 V186	S97-Y101 PolarHBondContact O-N 3.25Å; Y101-I103 PolarHBondContact O-N 3.13Å; Y101-L184 PolarHBondContact OH-O 2.9Å; Y101-V186 HydrophobicContact CD1-CG2 4.03Å; Y101-V186 HydrophobicContact CD2-CG2 4.3Å; Y101-V186 HydrophobicContact CE1-CG2 3.72Å; Y101-V186 HydrophobicContact CE2-CG2 4Å; Y101-V186 HydrophobicContact CG-CG2 4.33Å
102	S	98.3	Very high	98.5	Very high	36 Å²	36	36.2 Å²	36.2	25%	0.252	19%	0.187	S	C	.	.			trans	52.8	37.9	-180	-179.9	0	0	0	0	112.5	A98 E104 G236	A98-S102 PolarHBondContact O-N 3.07Å; S102-E104 PolarHBondContact O-N 2.98Å; S102-G236 WeakPolarHBondContact OG-CA 3.49Å; S102-G236 PolarHBondContact OG-N 3.32Å
103	I	98.6	Very high	98.5	Very high	28 Å²	28	34.2 Å²	34.2	14%	0.144	18%	0.176	C	C	.	.			trans	-73.1	73.7	167.8	-51.8	-170.1	0	0	0	107.7	Y101 L140 G179	Y101-I103 PolarHBondContact O-N 3.13Å; I103-L140 HydrophobicContact CG2-CD1 4.42Å; I103-L140 HydrophobicContact CG2-CD2 3.93Å; I103-L140 HydrophobicContact CG2-CG 4.01Å; I103-G179 PolarHBondContact O-N 3.28Å
104	E	98.9	Very high	98.5	Very high	66 Å²	66	29.6 Å²	29.6	31%	0.308	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	148	-174.4	58.5	174.4	-146	0	0	112.4	A98 S102 F177 I178 M234 G235	A98-E104 HydrophobicContact CB-CB 4.39Å; S102-E104 PolarHBondContact O-N 2.98Å; E104-F177 CarbonylContact C-O 3.58Å; E104-F177 VanDerWaalsContact CA-O 3.25Å; E104-F177 WeakPolarHBondContact CA-O 3.37Å; E104-I178 HydrophobicContact CB-CG2 3.83Å; E104-M234 WeakPolarHBondContact O-CA 3.3Å; E104-G235 PolarHBondContact O-N 2.79Å
105	L	98.9	Very high	98.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.2	175.1	62.4	88.3	0	0	0	110.2	M131 S134 T135 L140 F177 K233 M234	L105-M131 HydrophobicContact CD1-CE 4.04Å; L105-M131 HydrophobicContact CD1-CG 3.71Å; L105-S134 VanDerWaalsContact CD2-C 3.41Å; L105-S134 WeakPolarHBondContact CD2-O 3.3Å; L105-T135 VanDerWaalsContact CD2-CA 3.5Å; L105-L140 HydrophobicContact CD2-CD1 4.08Å; L105-L140 HydrophobicContact CG-CD1 4.43Å; L105-F177 HydrophobicContact CD1-CB 3.68Å; L105-F177 HydrophobicContact CD1-CD1 4.36Å; L105-F177 HydrophobicContact CD2-CD1 4.43Å; L105-F177 HydrophobicContact CG-CB 3.92Å; L105-F177 PolarHBondContact N-O 3.39Å; L105-F177 PolarHBondContact O-N 2.82Å; L105-K233 WeakPolarHBondContact CA-O 3.36Å; L105-M234 HydrophobicContact CB-CG 4.43Å
106	F	98.9	Very high	98.4	Very high	39 Å²	39	31.4 Å²	31.4	17%	0.171	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	165.8	178.8	68.1	-83.7	0	0	0	112.2	P175 T176 K233 Y238	F106-P175 CarbonylContact C-O 3.2Å; F106-P175 VanDerWaalsContact CA-O 3.27Å; F106-P175 WeakPolarHBondContact CA-O 3.46Å; F106-P175 WeakPolarHBondContact CB-O 3.44Å; F106-T176 HydrophobicContact CB-CG2 4.49Å; F106-K233 HydrophobicContact CD2-CD 4.37Å; F106-K233 HydrophobicContact CD2-CG 4.34Å; F106-K233 HydrophobicContact CE1-CG 4.3Å; F106-K233 HydrophobicContact CE2-CD 4.24Å; F106-K233 HydrophobicContact CE2-CG 4.14Å; F106-K233 HydrophobicContact CZ-CG 4.12Å; F106-K233 PolarHBondContact N-O 3.33Å; F106-K233 VanDerWaalsContact O-CB 3.32Å; F106-K233 WeakPolarHBondContact O-CB 3.17Å; F106-K233 VanDerWaalsContact O-CD 3.27Å; F106-K233 WeakPolarHBondContact O-CD 3.4Å; F106-K233 WeakPolarHBondContact O-CG 3.43Å; F106-Y238 AromaticContact CE1-CD2 3.64Å; F106-Y238 HydrophobicContact CE1-CD2 3.64Å; F106-Y238 AromaticContact CE1-CE2 3.42Å; F106-Y238 HydrophobicContact CE1-CE2 3.42Å; F106-Y238 VanDerWaalsContact CE1-CE2 3.42Å; F106-Y238 HydrophobicContact CE1-CG 4.36Å; F106-Y238 AromaticContact CE1-CZ 3.95Å; F106-Y238 HydrophobicContact CZ-CD1 4.34Å; F106-Y238 AromaticContact CZ-CD2 3.93Å; F106-Y238 HydrophobicContact CZ-CD2 3.93Å; F106-Y238 AromaticContact CZ-CE1 3.95Å; F106-Y238 HydrophobicContact CZ-CE1 3.95Å; F106-Y238 AromaticContact CZ-CE2 3.51Å; F106-Y238 HydrophobicContact CZ-CE2 3.51Å; F106-Y238 HydrophobicContact CZ-CG 4.33Å; F106-Y238 AromaticContact CZ-CZ 3.52Å
107	E	98.8	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.			trans	-123.7	168.4	172.2	-96.9	-55	150.6	0	0	113.1	N127 R130 M131 R174 P175	E107-N127 HydrophobicContact CG-CB 4.28Å; E107-N127 PolarHBondContact OE2-OD1 2.97Å; E107-R130 VanDerWaalsContact CD-NH2 3.29Å; E107-R130 WeakPolarHBondContact OE1-CB 3.29Å; E107-R130 WeakPolarHBondContact OE1-CG 3.3Å; E107-R130 IonicContact OE1-CZ 3.79Å; E107-R130 VanDerWaalsContact OE1-CZ 3.3Å; E107-R130 IonicContact OE1-NE 3.66Å; E107-R130 PolarHBondContact OE1-NE 3.47Å; E107-R130 IonicContact OE1-NH2 2.78Å; E107-R130 PolarHBondContact OE1-NH2 2.99Å; E107-R130 VanDerWaalsContact OE1-NH2 3.11Å; E107-R130 IonicContact OE2-CZ 2.66Å; E107-R130 IonicContact OE2-NE 3.94Å; E107-R130 IonicContact OE2-NH2 2.65Å; E107-R130 PolarHBondContact OE2-NH2 2.81Å; E107-M131 HydrophobicContact CG-CB 3.71Å; E107-M131 HydrophobicContact CG-CG 4.12Å; E107-M131 HydrophobicContact CG-SD 4.35Å; E107-R174 WeakPolarHBondContact O-CD 3.43Å; E107-R174 PolarHBondContact O-NE 3.26Å; E107-P175 HydrophobicContact CB-CB 4.1Å; E107-P175 HydrophobicContact CB-CG 3.86Å; E107-P175 PolarHBondContact N-O 2.95Å
108	G	98	Very high	98.3	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.021	20%	0.201	C	C	.	.			trans	-150	103.1	-177.1	0	0	0	0	0	113.3	N127 Y172 T344	G108-N127 PolarHBondContact O-OD1 3.14Å; G108-Y172 WeakPolarHBondContact CA-OH 3.38Å; G108-T344 PolarHBondContact O-OG1 3.33Å; G108-T344 VanDerWaalsContact O-OG1 3.09Å
109	M	98.3	Very high	98.3	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.02	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	175.9	175.8	60.8	-174.1	154.4	0	0	111	P124 N127 M128 I152 I173 P175	M109-P124 HydrophobicContact SD-CB 4.11Å; M109-N127 HydrophobicContact SD-CB 4.11Å; M109-M128 HydrophobicContact CE-CE 3.61Å; M109-I152 HydrophobicContact CE-CD1 3.59Å; M109-I152 HydrophobicContact CE-CG2 4.07Å; M109-I173 HydrophobicContact CE-CG2 4.09Å; M109-I173 HydrophobicContact CG-CB 3.91Å; M109-I173 HydrophobicContact CG-CD1 4.28Å; M109-I173 HydrophobicContact CG-CG2 4.35Å; M109-I173 PolarHBondContact N-O 3.41Å; M109-I173 PolarHBondContact O-N 3.47Å; M109-P175 HydrophobicContact CE-CG 3.76Å
110	K	98.4	Very high	98.3	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146	-175.5	-76.5	173.4	167.2	-177.6	0	111.4	F112 S170 L171 Y172 T344 A345	K110-F112 HydrophobicContact CB-CD2 4.23Å; K110-F112 HydrophobicContact CB-CE1 4.18Å; K110-F112 HydrophobicContact CB-CE2 3.42Å; K110-F112 VanDerWaalsContact CB-CE2 3.42Å; K110-F112 HydrophobicContact CB-CZ 3.41Å; K110-F112 VanDerWaalsContact CB-CZ 3.41Å; K110-F112 HydrophobicContact CD-CE1 4.11Å; K110-F112 HydrophobicContact CD-CZ 3.72Å; K110-F112 HydrophobicContact CG-CZ 4.21Å; K110-S170 VanDerWaalsContact CD-OG 3.3Å; K110-S170 WeakPolarHBondContact CD-OG 3.33Å; K110-S170 VanDerWaalsContact CE-OG 3.31Å; K110-S170 WeakPolarHBondContact CE-OG 3.37Å; K110-L171 CarbonylContact C-O 3.47Å; K110-L171 VanDerWaalsContact CA-O 3.24Å; K110-L171 WeakPolarHBondContact CA-O 3.33Å; K110-Y172 HydrophobicContact CG-CD2 4.07Å; K110-T344 HydrophobicContact CD-CG2 3.96Å; K110-T344 WeakPolarHBondContact CD-O 3.43Å; K110-T344 WeakPolarHBondContact CE-O 3.09Å; K110-T344 HydrophobicContact CG-CG2 3.87Å; K110-T344 PolarHBondContact NZ-O 3.47Å; K110-A345 PolarHBondContact NZ-O 3.36Å
111	A	98.6	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.9	161.1	0	0	0	0	0	110.4	I119 R120 L121 V156 V163 S170 L171 I173	A111-I119 HydrophobicContact CB-CG2 3.88Å; A111-R120 CarbonylContact C-O 3.51Å; A111-R120 WeakPolarHBondContact CA-O 3.25Å; A111-L121 HydrophobicContact CB-CD2 3.62Å; A111-V156 HydrophobicContact CB-CG1 4.09Å; A111-V163 HydrophobicContact CB-CG2 4.41Å; A111-S170 WeakPolarHBondContact O-CB 2.88Å; A111-L171 HydrophobicContact CB-CB 4.21Å; A111-L171 HydrophobicContact CB-CD2 4.47Å; A111-L171 PolarHBondContact N-O 3.03Å; A111-L171 PolarHBondContact O-N 3.16Å; A111-I173 HydrophobicContact CB-CD1 4.25Å
112	F	98.3	Very high	98.4	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.3	-174.9	-57.8	-92.8	0	0	0	109.6	K110 I119 R120 F122 Q384 Y385	K110-F112 HydrophobicContact CB-CD2 4.23Å; K110-F112 HydrophobicContact CB-CE1 4.18Å; K110-F112 HydrophobicContact CB-CE2 3.42Å; K110-F112 VanDerWaalsContact CB-CE2 3.42Å; K110-F112 HydrophobicContact CB-CZ 3.41Å; K110-F112 VanDerWaalsContact CB-CZ 3.41Å; K110-F112 HydrophobicContact CD-CE1 4.11Å; K110-F112 HydrophobicContact CD-CZ 3.72Å; K110-F112 HydrophobicContact CG-CZ 4.21Å; F112-I119 CarbonylContact O-C 3.56Å; F112-I119 WeakPolarHBondContact O-CA 3.31Å; F112-R120 PolarHBondContact N-O 3.02Å; F112-R120 PolarHBondContact O-N 2.97Å; F112-F122 HydrophobicContact CD2-CB 4.46Å; F112-F122 HydrophobicContact CE2-CB 3.83Å; F112-Q384 HydrophobicContact CB-CB 4.49Å; F112-Q384 WeakPolarHBondContact CB-O 3.49Å; F112-Q384 HydrophobicContact CD1-CB 3.98Å; F112-Q384 HydrophobicContact CD2-CB 3.92Å; F112-Q384 HydrophobicContact CD2-CG 4.1Å; F112-Q384 HydrophobicContact CE1-CB 4.1Å; F112-Q384 HydrophobicContact CE1-CG 4.25Å; F112-Q384 HydrophobicContact CE2-CB 4.05Å; F112-Q384 HydrophobicContact CE2-CG 3.76Å; F112-Q384 HydrophobicContact CG-CB 3.88Å; F112-Q384 HydrophobicContact CG-CG 4.49Å; F112-Q384 HydrophobicContact CZ-CB 4.12Å; F112-Q384 VanDerWaalsContact CZ-CD 3.49Å; F112-Q384 HydrophobicContact CZ-CG 3.82Å; F112-Y385 HydrophobicContact CB-CD1 4.18Å; F112-Y385 HydrophobicContact CB-CE1 4.17Å; F112-Y385 HydrophobicContact CD1-CE1 4.02Å; F112-Y385 HydrophobicContact CD1-CE2 4.14Å; F112-Y385 AromaticContact CD1-CZ 3.77Å
113	R	98.3	Very high	98.4	Very high	12 Å²	12	27.9 Å²	27.9	5%	0.045	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.3	172	-179.1	174.5	-67.2	-77.3	0.7	108.6	N117 Q160 V163 Q167 Y385	R113-N117 WeakPolarHBondContact CD-OD1 3.39Å; R113-N117 PolarHBondContact NH1-O 3.04Å; R113-N117 PolarHBondContact NH1-OD1 3.22Å; R113-Q160 PolarHBondContact NH2-O 3.17Å; R113-V163 HydrophobicContact CB-CG1 3.76Å; R113-V163 PolarHBondContact NE-O 3.03Å; R113-V163 VanDerWaalsContact NE-O 3.11Å; R113-Q167 PolarHBondContact O-NE2 3.39Å; R113-Q167 VanDerWaalsContact O-NE2 3.14Å; R113-Y385 WeakPolarHBondContact O-CD1 3.49Å
114	G	97.7	Very high	98.4	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.031	13%	0.134	C	C	.	.			trans	-69.5	172.3	-174.4	0	0	0	0	0	113.9	D116 N117 H118 Q167 Y385	G114-D116 PolarHBondContact O-N 2.8Å; G114-N117 PolarHBondContact O-N 3.19Å; G114-H118 PolarHBondContact N-O 3.28Å; G114-Q167 PolarHBondContact O-NE2 2.81Å; G114-Y385 CarbonylContact C-O 3.51Å; G114-Y385 WeakPolarHBondContact CA-O 3.24Å
115	V	97.8	Very high	98.4	Very high	83 Å²	83	27.1 Å²	27.1	50%	0.503	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.3	174.8	-62.7	0	0	0	0	112.9	Y385 R387	V115-Y385 PolarHBondContact N-O 2.83Å; V115-R387 HydrophobicContact CG1-CG 3.62Å; V115-R387 HydrophobicContact CG2-CG 4.11Å
116	D	97.5	Very high	98.3	Very high	68 Å²	68	30 Å²	30	36%	0.364	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	12	175.2	64.6	-16.2	0	0	0	113	G114 H118 R120	G114-D116 PolarHBondContact O-N 2.8Å; D116-H118 VanDerWaalsContact CG-ND1 3.31Å; D116-H118 PolarHBondContact O-N 2.99Å; D116-H118 PolarHBondContact OD1-N 2.95Å; D116-H118 IonicContact OD1-ND1 3.49Å; D116-H118 IonicContact OD2-CE1 3.95Å; D116-H118 IonicContact OD2-CG 2.9Å; D116-H118 IonicContact OD2-ND1 3.97Å; D116-H118 PolarHBondContact OD2-ND1 3.49Å; D116-R120 VanDerWaalsContact CG-NH2 3.35Å; D116-R120 IonicContact OD1-CZ 2.7Å; D116-R120 IonicContact OD1-NH1 3.48Å; D116-R120 PolarHBondContact OD1-NH1 2.97Å; D116-R120 IonicContact OD1-NH2 3.79Å; D116-R120 PolarHBondContact OD1-NH2 3.06Å; D116-R120 IonicContact OD2-CZ 3.24Å; D116-R120 IonicContact OD2-NH1 3.5Å; D116-R120 IonicContact OD2-NH2 2.82Å; D116-R120 PolarHBondContact OD2-NH2 3.2Å
117	N	97.7	Very high	98.3	Very high	93 Å²	93	28.2 Å²	28.2	50%	0.497	14%	0.143	S	C	.	.	S	Bend	trans	64.5	-0.3	-178.4	-159.4	40.2	0	0	0	116.1	R113 G114	R113-N117 WeakPolarHBondContact CD-OD1 3.39Å; R113-N117 PolarHBondContact NH1-O 3.04Å; R113-N117 PolarHBondContact NH1-OD1 3.22Å; G114-N117 PolarHBondContact O-N 3.19Å
118	H	98.2	Very high	98.3	Very high	85 Å²	85	28.2 Å²	28.2	39%	0.394	14%	0.143	S	C	.	.			trans	-74	144.4	171.2	-65.6	126.7	0	0	0	111.4	G114 D116 R120 V395	G114-H118 PolarHBondContact N-O 3.28Å; D116-H118 VanDerWaalsContact CG-ND1 3.31Å; D116-H118 PolarHBondContact O-N 2.99Å; D116-H118 PolarHBondContact OD1-N 2.95Å; D116-H118 IonicContact OD1-ND1 3.49Å; D116-H118 IonicContact OD2-CE1 3.95Å; D116-H118 IonicContact OD2-CG 2.9Å; D116-H118 IonicContact OD2-ND1 3.97Å; D116-H118 PolarHBondContact OD2-ND1 3.49Å; H118-R120 PolarHBondContact O-NH1 3.45Å; H118-V395 HydrophobicContact CB-CG1 3.99Å; H118-V395 HydrophobicContact CB-CG2 4.26Å
119	I	98.7	Very high	98.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134	177.1	-62.8	163.9	0	0	0	109.6	A111 F112 V156 Q160 V163 V395 V396 V397	A111-I119 HydrophobicContact CB-CG2 3.88Å; F112-I119 CarbonylContact O-C 3.56Å; F112-I119 WeakPolarHBondContact O-CA 3.31Å; I119-V156 HydrophobicContact CG2-CG1 3.98Å; I119-Q160 HydrophobicContact CD1-CB 3.6Å; I119-V163 HydrophobicContact CD1-CB 4.05Å; I119-V163 HydrophobicContact CD1-CG2 3.73Å; I119-V163 HydrophobicContact CG1-CB 4.31Å; I119-V163 HydrophobicContact CG1-CG1 4.31Å; I119-V163 HydrophobicContact CG1-CG2 4.23Å; I119-V163 HydrophobicContact CG2-CG1 4.44Å; I119-V163 HydrophobicContact CG2-CG2 4.12Å; I119-V395 CarbonylContact O-C 3.55Å; I119-V395 WeakPolarHBondContact O-CA 3.34Å; I119-V396 HydrophobicContact CB-CG2 4.31Å; I119-V396 HydrophobicContact CG2-CG2 3.84Å; I119-V396 WeakPolarHBondContact O-CG2 3.11Å; I119-V396 PolarHBondContact O-N 3.22Å; I119-V397 HydrophobicContact CB-CB 3.95Å; I119-V397 HydrophobicContact CB-CG2 4.23Å; I119-V397 HydrophobicContact CD1-CB 3.89Å; I119-V397 HydrophobicContact CD1-CG1 4.36Å; I119-V397 HydrophobicContact CD1-CG2 4.05Å; I119-V397 HydrophobicContact CG1-CB 4.3Å; I119-V397 PolarHBondContact N-O 2.83Å; I119-V397 PolarHBondContact O-N 3.48Å
120	R	98.6	Very high	98.4	Very high	23 Å²	23	31.9 Å²	31.9	9%	0.087	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.4	-179.2	-66.1	171.3	178	77.4	-1.5	111.9	A111 F112 D116 H118 A393 P394 V395	A111-R120 CarbonylContact C-O 3.51Å; A111-R120 WeakPolarHBondContact CA-O 3.25Å; F112-R120 PolarHBondContact N-O 3.02Å; F112-R120 PolarHBondContact O-N 2.97Å; D116-R120 VanDerWaalsContact CG-NH2 3.35Å; D116-R120 IonicContact OD1-CZ 2.7Å; D116-R120 IonicContact OD1-NH1 3.48Å; D116-R120 PolarHBondContact OD1-NH1 2.97Å; D116-R120 IonicContact OD1-NH2 3.79Å; D116-R120 PolarHBondContact OD1-NH2 3.06Å; D116-R120 IonicContact OD2-CZ 3.24Å; D116-R120 IonicContact OD2-NH1 3.5Å; D116-R120 IonicContact OD2-NH2 2.82Å; D116-R120 PolarHBondContact OD2-NH2 3.2Å; H118-R120 PolarHBondContact O-NH1 3.45Å; R120-A393 HydrophobicContact CB-CB 4.26Å; R120-A393 WeakPolarHBondContact CD-O 3.32Å; R120-P394 VanDerWaalsContact CA-O 3.3Å; R120-P394 WeakPolarHBondContact CA-O 3.4Å; R120-V395 HydrophobicContact CG-CG2 4.1Å
121	L	98.6	Very high	98.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.7	165.8	-63.7	-177.2	0	0	0	110	A111 P124 L149 K153 I173 A393 P394 V396	A111-L121 HydrophobicContact CB-CD2 3.62Å; L121-P124 HydrophobicContact CB-CB 4.02Å; L121-P124 HydrophobicContact CB-CG 3.83Å; L121-P124 HydrophobicContact CD1-CB 4.08Å; L121-P124 HydrophobicContact CD1-CG 4.31Å; L121-L149 HydrophobicContact CD1-CD1 3.96Å; L121-K153 HydrophobicContact CD1-CG 3.97Å; L121-I173 HydrophobicContact CD2-CD1 3.5Å; L121-I173 VanDerWaalsContact CD2-CD1 3.5Å; L121-A393 WeakPolarHBondContact O-CA 3.4Å; L121-P394 PolarHBondContact N-O 3.15Å; L121-P394 VanDerWaalsContact O-CD 3.27Å; L121-P394 WeakPolarHBondContact O-CD 3.44Å; L121-V396 HydrophobicContact CB-CG1 4.36Å; L121-V396 HydrophobicContact CD1-CG1 3.94Å; L121-V396 HydrophobicContact CG-CB 4.5Å; L121-V396 HydrophobicContact CG-CG1 3.79Å; L121-V396 HydrophobicContact CG-CG2 3.99Å
122	F	98.6	Very high	98.4	Very high	15 Å²	15	32.8 Å²	32.8	7%	0.066	16%	0.164	C	C	.	.	S	Bend	trans	-92.3	116.2	178.9	-174.4	-102.3	0	0	0	112.6	F112 P124 V300 L380 I383 Q384 W392	F112-F122 HydrophobicContact CD2-CB 4.46Å; F112-F122 HydrophobicContact CE2-CB 3.83Å; F122-P124 VanDerWaalsContact C-CD 3.45Å; F122-P124 VanDerWaalsContact C-N 3.3Å; F122-V300 HydrophobicContact CD1-CG1 4.43Å; F122-V300 HydrophobicContact CE1-CG1 4.23Å; F122-L380 HydrophobicContact CE2-CD2 4.33Å; F122-L380 HydrophobicContact CZ-CD2 3.78Å; F122-I383 HydrophobicContact CD2-CG2 4.19Å; F122-I383 HydrophobicContact CE2-CG2 3.9Å; F122-Q384 HydrophobicContact CB-CG 4.03Å; F122-Q384 HydrophobicContact CD2-CG 3.57Å; F122-Q384 HydrophobicContact CE2-CG 4.23Å; F122-Q384 HydrophobicContact CG-CG 3.85Å; F122-W392 CarbonylContact C-O 3.57Å; F122-W392 HydrophobicContact CD2-CB 4.44Å; F122-W392 HydrophobicContact CE2-CB 3.96Å; F122-W392 AromaticContact CE2-CE3 3.95Å; F122-W392 HydrophobicContact CE2-CE3 3.95Å; F122-W392 AromaticContact CZ-CE3 3.84Å; F122-W392 HydrophobicContact CZ-CE3 3.84Å; F122-W392 HydrophobicContact CZ-CZ3 4.49Å
123	R	98.5	Very high	98.4	Very high	40 Å²	40	36.3 Å²	36.3	15%	0.151	18%	0.177	C	C	.	.	S	Bend	trans	39.3	50.9	-178.5	-56.1	-173.3	82.4	174.9	6.8	112.9	M125 L126 N127 V300 S304 D307 W392	R123-M125 VanDerWaalsContact C-N 3.28Å; R123-M125 PolarHBondContact O-N 2.9Å; R123-L126 HydrophobicContact CB-CD1 4.08Å; R123-L126 HydrophobicContact CB-CG 4.37Å; R123-L126 PolarHBondContact O-N 3.22Å; R123-L126 VanDerWaalsContact O-N 3.14Å; R123-N127 PolarHBondContact O-ND2 3.44Å; R123-V300 HydrophobicContact CB-CG1 3.84Å; R123-S304 VanDerWaalsContact CD-OG 3.3Å; R123-S304 WeakPolarHBondContact CD-OG 3.33Å; R123-S304 PolarHBondContact NH1-OG 3.29Å; R123-D307 IonicContact CZ-OD2 2.82Å; R123-D307 VanDerWaalsContact CZ-OD2 3.32Å; R123-D307 IonicContact NH1-OD2 2.74Å; R123-D307 PolarHBondContact NH1-OD2 3.14Å; R123-D307 IonicContact NH2-OD2 3.3Å; R123-D307 PolarHBondContact NH2-OD2 2.68Å; R123-W392 HydrophobicContact CG-CB 3.7Å; R123-W392 HydrophobicContact CG-CD2 4.32Å; R123-W392 HydrophobicContact CG-CG 3.89Å; R123-W392 PolarHBondContact N-O 3.1Å
124	P	98.6	Very high	98.5	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.045	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-33.8	-169.3	25.4	-35.5	0	0	0	113.2	M109 L121 F122 L126 N127 M128 L149 P394	M109-P124 HydrophobicContact SD-CB 4.11Å; L121-P124 HydrophobicContact CB-CB 4.02Å; L121-P124 HydrophobicContact CB-CG 3.83Å; L121-P124 HydrophobicContact CD1-CB 4.08Å; L121-P124 HydrophobicContact CD1-CG 4.31Å; F122-P124 VanDerWaalsContact C-CD 3.45Å; F122-P124 VanDerWaalsContact C-N 3.3Å; P124-L126 VanDerWaalsContact C-N 3.28Å; P124-L126 PolarHBondContact O-N 3.37Å; P124-N127 WeakPolarHBondContact O-CB 3.07Å; P124-N127 PolarHBondContact O-N 3.05Å; P124-M128 PolarHBondContact O-N 3Å; P124-M128 VanDerWaalsContact O-N 3.15Å; P124-L149 HydrophobicContact CB-CD1 3.63Å; P124-L149 HydrophobicContact CB-CD2 4.12Å; P124-L149 HydrophobicContact CG-CD1 4.23Å; P124-L149 HydrophobicContact CG-CD2 4.06Å; P124-P394 HydrophobicContact CG-CG 4.36Å
125	M	98.4	Very high	98.5	Very high	72 Å²	72	35.6 Å²	35.6	36%	0.355	17%	0.173	S	C	.	.	H	α-helix	trans	-60.7	-34.5	178.7	-73.9	-54.8	-61	0	0	112.8	R123 N127 M128 E129 K145 L149	R123-M125 VanDerWaalsContact C-N 3.28Å; R123-M125 PolarHBondContact O-N 2.9Å; M125-N127 PolarHBondContact O-N 2.81Å; M125-M128 WeakPolarHBondContact O-CB 3.31Å; M125-M128 PolarHBondContact O-N 3.44Å; M125-M128 HydrophobicContact SD-CG 4.39Å; M125-E129 WeakPolarHBondContact O-CG 3.45Å; M125-E129 PolarHBondContact O-N 2.94Å; M125-K145 HydrophobicContact CE-CB 4.21Å; M125-L149 HydrophobicContact CG-CD2 4.05Å; M125-L149 HydrophobicContact SD-CD2 3.4Å; M125-L149 WeakPolarHBondContact SD-CD2 3.43Å
126	L	98.7	Very high	98.5	Very high	61 Å²	61	36.7 Å²	36.7	32%	0.319	17%	0.173	S	C	.	.	H	α-helix	trans	-64	-30.6	175.8	-65.7	-177.2	0	0	0	112.5	R123 P124 R130 V300	R123-L126 HydrophobicContact CB-CD1 4.08Å; R123-L126 HydrophobicContact CB-CG 4.37Å; R123-L126 PolarHBondContact O-N 3.22Å; R123-L126 VanDerWaalsContact O-N 3.14Å; P124-L126 VanDerWaalsContact C-N 3.28Å; P124-L126 PolarHBondContact O-N 3.37Å; L126-R130 PolarHBondContact O-N 3.5Å; L126-R130 VanDerWaalsContact O-N 3.14Å; L126-V300 HydrophobicContact CB-CG1 4.43Å; L126-V300 HydrophobicContact CB-CG2 3.68Å; L126-V300 HydrophobicContact CD1-CG1 4.11Å
127	N	98.9	Very high	98.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.011	18%	0.176	C	C	.	.	H	α-helix	trans	-72.5	-39	172.6	-59.6	-77.3	0	0	0	110.8	E107 G108 M109 R123 P124 M125 R130 M131 V300	E107-N127 HydrophobicContact CG-CB 4.28Å; E107-N127 PolarHBondContact OE2-OD1 2.97Å; G108-N127 PolarHBondContact O-OD1 3.14Å; M109-N127 HydrophobicContact SD-CB 4.11Å; R123-N127 PolarHBondContact O-ND2 3.44Å; P124-N127 WeakPolarHBondContact O-CB 3.07Å; P124-N127 PolarHBondContact O-N 3.05Å; M125-N127 PolarHBondContact O-N 2.81Å; N127-R130 PolarHBondContact O-N 3.35Å; N127-R130 PolarHBondContact OD1-NH2 3.48Å; N127-M131 WeakPolarHBondContact O-CB 3.45Å; N127-M131 PolarHBondContact O-N 2.93Å; N127-V300 WeakPolarHBondContact OD1-CG2 3.41Å
128	M	98.8	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-40.5	174.6	-59.1	-62	89.8	0	0	112.1	M109 P124 M125 M131 H132 K145 L148 L149 I152	M109-M128 HydrophobicContact CE-CE 3.61Å; P124-M128 PolarHBondContact O-N 3Å; P124-M128 VanDerWaalsContact O-N 3.15Å; M125-M128 WeakPolarHBondContact O-CB 3.31Å; M125-M128 PolarHBondContact O-N 3.44Å; M125-M128 HydrophobicContact SD-CG 4.39Å; M128-M131 HydrophobicContact CE-SD 4.48Å; M128-M131 PolarHBondContact O-N 2.88Å; M128-H132 WeakPolarHBondContact O-CB 3.27Å; M128-H132 PolarHBondContact O-N 2.93Å; M128-K145 HydrophobicContact CB-CB 3.88Å; M128-K145 HydrophobicContact CB-CG 4.1Å; M128-L148 HydrophobicContact SD-CB 4.22Å; M128-L148 HydrophobicContact SD-CD2 4Å; M128-L148 HydrophobicContact SD-CG 4.06Å; M128-L149 HydrophobicContact CG-CB 4.08Å; M128-L149 HydrophobicContact SD-CB 4.22Å; M128-I152 HydrophobicContact CE-CD1 4.03Å; M128-I152 HydrophobicContact SD-CD1 4.29Å
129	E	98.8	Very high	98.5	Very high	72 Å²	72	34.7 Å²	34.7	34%	0.336	16%	0.163	S	C	.	.	H	α-helix	trans	-60.8	-45	173.5	-65.7	-52.5	151.4	0	0	112	M125 H132 R133 K145	M125-E129 WeakPolarHBondContact O-CG 3.45Å; M125-E129 PolarHBondContact O-N 2.94Å; E129-H132 PolarHBondContact O-N 2.82Å; E129-R133 WeakPolarHBondContact O-CG 3.37Å; E129-R133 PolarHBondContact O-N 2.6Å; E129-K145 WeakPolarHBondContact OE1-CD 3.48Å; E129-K145 WeakPolarHBondContact OE1-CE 3.38Å; E129-K145 IonicContact OE1-NZ 2.79Å; E129-K145 PolarHBondContact OE1-NZ 3.18Å; E129-K145 WeakPolarHBondContact OE2-CD 3.38Å; E129-K145 IonicContact OE2-NZ 2.69Å; E129-K145 PolarHBondContact OE2-NZ 2.93Å
130	R	98.8	Very high	98.5	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-69.1	-36.6	178.7	-172.7	171.6	64.1	-134.1	-9.5	112.4	E107 L126 N127 S134 P298	E107-R130 VanDerWaalsContact CD-NH2 3.29Å; E107-R130 WeakPolarHBondContact OE1-CB 3.29Å; E107-R130 WeakPolarHBondContact OE1-CG 3.3Å; E107-R130 IonicContact OE1-CZ 3.79Å; E107-R130 VanDerWaalsContact OE1-CZ 3.3Å; E107-R130 IonicContact OE1-NE 3.66Å; E107-R130 PolarHBondContact OE1-NE 3.47Å; E107-R130 IonicContact OE1-NH2 2.78Å; E107-R130 PolarHBondContact OE1-NH2 2.99Å; E107-R130 VanDerWaalsContact OE1-NH2 3.11Å; E107-R130 IonicContact OE2-CZ 2.66Å; E107-R130 IonicContact OE2-NE 3.94Å; E107-R130 IonicContact OE2-NH2 2.65Å; E107-R130 PolarHBondContact OE2-NH2 2.81Å; L126-R130 PolarHBondContact O-N 3.5Å; L126-R130 VanDerWaalsContact O-N 3.14Å; N127-R130 PolarHBondContact O-N 3.35Å; N127-R130 PolarHBondContact OD1-NH2 3.48Å; R130-S134 WeakPolarHBondContact O-CB 3.42Å; R130-S134 PolarHBondContact O-N 3.41Å; R130-S134 PolarHBondContact O-OG 2.89Å; R130-P298 PolarHBondContact NH1-O 2.92Å
131	M	98.9	Very high	98.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-44	173.3	-163.5	173.8	172.8	0	0	111.1	L105 E107 N127 M128 S134 T135 F143 L148 P175 F177	L105-M131 HydrophobicContact CD1-CE 4.04Å; L105-M131 HydrophobicContact CD1-CG 3.71Å; E107-M131 HydrophobicContact CG-CB 3.71Å; E107-M131 HydrophobicContact CG-CG 4.12Å; E107-M131 HydrophobicContact CG-SD 4.35Å; N127-M131 WeakPolarHBondContact O-CB 3.45Å; N127-M131 PolarHBondContact O-N 2.93Å; M128-M131 HydrophobicContact CE-SD 4.48Å; M128-M131 PolarHBondContact O-N 2.88Å; M131-S134 PolarHBondContact O-N 3.13Å; M131-T135 WeakPolarHBondContact O-CB 3.38Å; M131-T135 PolarHBondContact O-N 3.05Å; M131-T135 PolarHBondContact O-OG1 3Å; M131-F143 HydrophobicContact CB-CZ 4.26Å; M131-F143 HydrophobicContact CE-CE1 4.35Å; M131-F143 HydrophobicContact CE-CZ 4.2Å; M131-F143 HydrophobicContact CG-CE1 4.43Å; M131-F143 HydrophobicContact CG-CZ 3.86Å; M131-F143 HydrophobicContact SD-CZ 3.92Å; M131-L148 HydrophobicContact CE-CD2 4.02Å; M131-L148 HydrophobicContact SD-CD2 3.65Å; M131-P175 HydrophobicContact CE-CB 4.09Å; M131-P175 HydrophobicContact SD-CB 3.86Å; M131-F177 HydrophobicContact CE-CB 3.87Å; M131-F177 HydrophobicContact CE-CD1 4.37Å
132	H	98.6	Very high	98.4	Very high	32 Å²	32	38 Å²	38	15%	0.148	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-48.4	177.7	-169.7	-82.2	0	0	0	111.8	M128 E129 S134 T135 E136 K145	M128-H132 WeakPolarHBondContact O-CB 3.27Å; M128-H132 PolarHBondContact O-N 2.93Å; E129-H132 PolarHBondContact O-N 2.82Å; H132-S134 VanDerWaalsContact C-N 3.31Å; H132-S134 PolarHBondContact O-N 2.96Å; H132-T135 WeakPolarHBondContact O-CA 3.5Å; H132-T135 VanDerWaalsContact O-CB 3.27Å; H132-T135 WeakPolarHBondContact O-CB 3.3Å; H132-T135 PolarHBondContact O-N 3.28Å; H132-E136 IonicContact CE1-OE1 3.79Å; H132-E136 PolarHBondContact CE1-OE1 3.14Å; H132-E136 IonicContact ND1-OE1 3.34Å; H132-E136 PolarHBondContact ND1-OE1 2.94Å; H132-E136 VanDerWaalsContact ND1-OE1 3.16Å; H132-E136 PolarHBondContact O-N 3.11Å; H132-K145 HydrophobicContact CB-CD 3.92Å; H132-K145 HydrophobicContact CB-CG 3.99Å
133	R	98.6	Very high	98.4	Very high	80 Å²	80	37.8 Å²	37.8	30%	0.302	18%	0.181	S	C	.	.	H	α-helix	trans	-60.4	-39.5	175.2	-70.1	-168.7	-57.4	130.8	4.6	112.9	E129 T135 R137 E231 Y232	E129-R133 WeakPolarHBondContact O-CG 3.37Å; E129-R133 PolarHBondContact O-N 2.6Å; R133-T135 VanDerWaalsContact C-N 3.28Å; R133-R137 PolarHBondContact O-N 3.23Å; R133-R137 VanDerWaalsContact O-N 3.12Å; R133-E231 IonicContact NH1-OE2 3.6Å; R133-Y232 HydrophobicContact CB-CD1 4.44Å; R133-Y232 HydrophobicContact CB-CE1 4.25Å; R133-Y232 WeakPolarHBondContact O-CE1 3.44Å
134	S	98.8	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-35.9	175.3	-55.3	0	0	0	0	111.1	L105 R130 M131 H132 R137 S138 K233	L105-S134 VanDerWaalsContact CD2-C 3.41Å; L105-S134 WeakPolarHBondContact CD2-O 3.3Å; R130-S134 WeakPolarHBondContact O-CB 3.42Å; R130-S134 PolarHBondContact O-N 3.41Å; R130-S134 PolarHBondContact O-OG 2.89Å; M131-S134 PolarHBondContact O-N 3.13Å; H132-S134 VanDerWaalsContact C-N 3.31Å; H132-S134 PolarHBondContact O-N 2.96Å; S134-R137 PolarHBondContact O-N 3.13Å; S134-S138 WeakPolarHBondContact O-CB 3.25Å; S134-S138 PolarHBondContact O-N 3.07Å; S134-S138 PolarHBondContact O-OG 3.37Å; S134-S138 VanDerWaalsContact O-OG 3.13Å; S134-K233 PolarHBondContact OG-N 3.2Å; S134-K233 VanDerWaalsContact OG-N 3.1Å
135	T	98.6	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-49.7	177.2	-58.5	0	0	0	0	110.4	L105 M131 H132 R133 R137 S138 C139 L140 P141 L142 F143 F177	L105-T135 VanDerWaalsContact CD2-CA 3.5Å; M131-T135 WeakPolarHBondContact O-CB 3.38Å; M131-T135 PolarHBondContact O-N 3.05Å; M131-T135 PolarHBondContact O-OG1 3Å; H132-T135 WeakPolarHBondContact O-CA 3.5Å; H132-T135 VanDerWaalsContact O-CB 3.27Å; H132-T135 WeakPolarHBondContact O-CB 3.3Å; H132-T135 PolarHBondContact O-N 3.28Å; R133-T135 VanDerWaalsContact C-N 3.28Å; T135-R137 VanDerWaalsContact C-N 3.33Å; T135-R137 PolarHBondContact O-N 3.37Å; T135-S138 WeakPolarHBondContact CA-OG 3.37Å; T135-S138 PolarHBondContact O-N 3.1Å; T135-S138 VanDerWaalsContact O-N 3.14Å; T135-S138 PolarHBondContact O-OG 2.79Å; T135-C139 PolarHBondContact O-N 2.91Å; T135-C139 VanDerWaalsContact O-N 3.14Å; T135-L140 HydrophobicContact CG2-CB 3.84Å; T135-L140 WeakPolarHBondContact CG2-O 3.37Å; T135-L140 PolarHBondContact O-N 2.84Å; T135-P141 WeakPolarHBondContact CG2-O 3.45Å; T135-L142 HydrophobicContact CG2-CD2 3.86Å; T135-F143 HydrophobicContact CG2-CE1 4.39Å; T135-F177 HydrophobicContact CG2-CD1 4.07Å; T135-F177 HydrophobicContact CG2-CE1 3.49Å; T135-F177 VanDerWaalsContact CG2-CE1 3.49Å; T135-F177 HydrophobicContact CG2-CZ 4.45Å
136	E	97.9	Very high	98.4	Very high	106 Å²	106	41 Å²	41	50%	0.495	20%	0.203	S	C	.	.	H	α-helix	trans	-53.4	-48.7	173.9	-71.2	173.2	175.2	0	0	111.7	H132 S138 C139 L142	H132-E136 IonicContact CE1-OE1 3.79Å; H132-E136 PolarHBondContact CE1-OE1 3.14Å; H132-E136 IonicContact ND1-OE1 3.34Å; H132-E136 PolarHBondContact ND1-OE1 2.94Å; H132-E136 VanDerWaalsContact ND1-OE1 3.16Å; H132-E136 PolarHBondContact O-N 3.11Å; E136-S138 VanDerWaalsContact C-N 3.29Å; E136-S138 PolarHBondContact O-N 3.48Å; E136-C139 PolarHBondContact O-N 3.3Å; E136-L142 HydrophobicContact CB-CD2 4.47Å; E136-L142 HydrophobicContact CG-CD1 4.43Å; E136-L142 HydrophobicContact CG-CD2 3.52Å
137	R	98.3	Very high	98.4	Very high	113 Å²	113	39.9 Å²	39.9	43%	0.426	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-33.9	-179.8	-176.7	58.7	170.8	-176.4	-7	113.2	R133 S134 T135 C139 G227 G228 V229 Y232 M234	R133-R137 PolarHBondContact O-N 3.23Å; R133-R137 VanDerWaalsContact O-N 3.12Å; S134-R137 PolarHBondContact O-N 3.13Å; T135-R137 VanDerWaalsContact C-N 3.33Å; T135-R137 PolarHBondContact O-N 3.37Å; R137-C139 VanDerWaalsContact C-N 3.33Å; R137-G227 PolarHBondContact NH2-O 3.15Å; R137-G228 PolarHBondContact NH2-O 3.31Å; R137-V229 HydrophobicContact CG-CG1 3.99Å; R137-Y232 HydrophobicContact CB-CD1 3.84Å; R137-Y232 HydrophobicContact CB-CD2 4.22Å; R137-Y232 HydrophobicContact CB-CE1 3.75Å; R137-Y232 HydrophobicContact CB-CE2 4.15Å; R137-Y232 HydrophobicContact CB-CG 4.06Å; R137-Y232 HydrophobicContact CG-CD1 4.29Å; R137-Y232 HydrophobicContact CG-CD2 3.74Å; R137-Y232 HydrophobicContact CG-CE1 4.23Å; R137-Y232 HydrophobicContact CG-CE2 3.68Å; R137-Y232 HydrophobicContact CG-CG 4.04Å; R137-M234 HydrophobicContact CG-SD 4.02Å
138	S	97.5	Very high	98.4	Very high	15 Å²	15	39.8 Å²	39.8	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-83.7	-4.1	-179.8	68.3	0	0	0	0	114.5	S134 T135 E136 L140	S134-S138 WeakPolarHBondContact O-CB 3.25Å; S134-S138 PolarHBondContact O-N 3.07Å; S134-S138 PolarHBondContact O-OG 3.37Å; S134-S138 VanDerWaalsContact O-OG 3.13Å; T135-S138 WeakPolarHBondContact CA-OG 3.37Å; T135-S138 PolarHBondContact O-N 3.1Å; T135-S138 VanDerWaalsContact O-N 3.14Å; T135-S138 PolarHBondContact O-OG 2.79Å; E136-S138 VanDerWaalsContact C-N 3.29Å; E136-S138 PolarHBondContact O-N 3.48Å; S138-L140 PolarHBondContact O-N 3.13Å; S138-L140 VanDerWaalsContact O-N 3.14Å; S138-L140 WeakPolarHBondContact OG-CB 3.39Å; S138-L140 WeakPolarHBondContact OG-CD1 3.44Å; S138-L140 WeakPolarHBondContact OG-CG 3.42Å; S138-L140 PolarHBondContact OG-N 3.33Å
139	C	97.1	Very high	98.4	Very high	76 Å²	76	40.1 Å²	40.1	51%	0.514	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	18.9	-173.1	-60.7	0	0	0	0	114.7	T135 E136 R137 R188	T135-C139 PolarHBondContact O-N 2.91Å; T135-C139 VanDerWaalsContact O-N 3.14Å; E136-C139 PolarHBondContact O-N 3.3Å; R137-C139 VanDerWaalsContact C-N 3.33Å; C139-R188 HydrophobicContact CB-CG 4.46Å; C139-R188 PolarHBondContact O-NE 3.1Å
140	L	98.3	Very high	98.4	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.7	158.8	169	-78.3	172	0	0	0	110.4	I103 L105 T135 S138 L142 F177 A192	I103-L140 HydrophobicContact CG2-CD1 4.42Å; I103-L140 HydrophobicContact CG2-CD2 3.93Å; I103-L140 HydrophobicContact CG2-CG 4.01Å; L105-L140 HydrophobicContact CD2-CD1 4.08Å; L105-L140 HydrophobicContact CG-CD1 4.43Å; T135-L140 HydrophobicContact CG2-CB 3.84Å; T135-L140 WeakPolarHBondContact CG2-O 3.37Å; T135-L140 PolarHBondContact O-N 2.84Å; S138-L140 PolarHBondContact O-N 3.13Å; S138-L140 VanDerWaalsContact O-N 3.14Å; S138-L140 WeakPolarHBondContact OG-CB 3.39Å; S138-L140 WeakPolarHBondContact OG-CD1 3.44Å; S138-L140 WeakPolarHBondContact OG-CG 3.42Å; S138-L140 PolarHBondContact OG-N 3.33Å; L140-L142 PolarHBondContact O-N 3.45Å; L140-F177 HydrophobicContact CB-CD1 4.28Å; L140-F177 HydrophobicContact CB-CE1 3.85Å; L140-F177 HydrophobicContact CB-CE2 4.34Å; L140-F177 HydrophobicContact CB-CZ 3.88Å; L140-F177 HydrophobicContact CD1-CB 4.36Å; L140-F177 HydrophobicContact CD1-CD1 4.01Å; L140-F177 HydrophobicContact CD1-CD2 3.98Å; L140-F177 HydrophobicContact CD1-CE1 4.38Å; L140-F177 HydrophobicContact CD1-CE2 4.35Å; L140-F177 HydrophobicContact CD1-CG 3.82Å; L140-F177 HydrophobicContact CD2-CD2 4.46Å; L140-F177 HydrophobicContact CD2-CE2 4.22Å; L140-A192 HydrophobicContact CD2-CB 3.87Å
141	P	97.8	Very high	98.4	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.032	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-67.3	133.5	-177.3	24.9	-30.2	0	0	0	111.1	W73 W79 T135 F177 A192	W73-P141 HydrophobicContact CB-CG 4.07Å; W73-P141 HydrophobicContact CD2-CB 3.62Å; W73-P141 HydrophobicContact CD2-CG 3.35Å; W73-P141 HydrophobicContact CE3-CB 4.15Å; W73-P141 HydrophobicContact CE3-CG 3.59Å; W73-P141 HydrophobicContact CG-CB 3.91Å; W73-P141 HydrophobicContact CG-CG 3.55Å; W73-P141 HydrophobicContact CH2-CB 4.26Å; W73-P141 HydrophobicContact CH2-CG 4.46Å; W73-P141 HydrophobicContact CZ2-CB 3.77Å; W73-P141 HydrophobicContact CZ2-CG 4.29Å; W73-P141 HydrophobicContact CZ3-CB 4.42Å; W73-P141 HydrophobicContact CZ3-CG 4.12Å; W79-P141 HydrophobicContact CH2-CG 4.21Å; W79-P141 HydrophobicContact CZ2-CB 4.07Å; W79-P141 HydrophobicContact CZ2-CG 3.9Å; T135-P141 WeakPolarHBondContact CG2-O 3.45Å; P141-F177 HydrophobicContact CG-CE2 4.23Å; P141-F177 HydrophobicContact CG-CZ 3.71Å; P141-F177 VanDerWaalsContact O-CE1 3.3Å; P141-F177 WeakPolarHBondContact O-CE1 3.37Å; P141-F177 VanDerWaalsContact O-CZ 3.27Å; P141-F177 WeakPolarHBondContact O-CZ 3.38Å; P141-A192 HydrophobicContact CG-CB 3.94Å
142	L	97.9	Very high	98.4	Very high	86 Å²	86	40.2 Å²	40.2	45%	0.45	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-70	156.2	177.6	-59.7	179.5	0	0	0	111.2	W79 T135 E136 L140	W79-L142 PolarHBondContact NE1-O 2.89Å; T135-L142 HydrophobicContact CG2-CD2 3.86Å; E136-L142 HydrophobicContact CB-CD2 4.47Å; E136-L142 HydrophobicContact CG-CD1 4.43Å; E136-L142 HydrophobicContact CG-CD2 3.52Å; L140-L142 PolarHBondContact O-N 3.45Å
143	F	98.3	Very high	98.4	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.039	20%	0.2	C	C	.	.			trans	-142.2	161.1	-179.9	58.6	-93.5	0	0	0	110.1	F36 W79 M131 T135 K145 L148 F177 I194	F36-F143 HydrophobicContact CD1-CB 4.47Å; F36-F143 HydrophobicContact CE1-CB 3.6Å; F36-F143 HydrophobicContact CE1-CG 4.32Å; F36-F143 HydrophobicContact CZ-CB 4.07Å; F36-F143 HydrophobicContact CZ-CG 4.48Å; W79-F143 HydrophobicContact CZ2-CB 3.98Å; W79-F143 HydrophobicContact CZ2-CD1 4.46Å; M131-F143 HydrophobicContact CB-CZ 4.26Å; M131-F143 HydrophobicContact CE-CE1 4.35Å; M131-F143 HydrophobicContact CE-CZ 4.2Å; M131-F143 HydrophobicContact CG-CE1 4.43Å; M131-F143 HydrophobicContact CG-CZ 3.86Å; M131-F143 HydrophobicContact SD-CZ 3.92Å; T135-F143 HydrophobicContact CG2-CE1 4.39Å; F143-K145 PolarHBondContact O-N 3.5Å; F143-L148 HydrophobicContact CD2-CB 3.98Å; F143-L148 HydrophobicContact CD2-CD2 3.97Å; F143-L148 HydrophobicContact CE2-CB 4.02Å; F143-L148 HydrophobicContact CE2-CD2 3.39Å; F143-L148 HydrophobicContact CE2-CG 4.34Å; F143-L148 HydrophobicContact CZ-CD2 3.73Å; F143-F177 AromaticContact CD1-CE1 3.92Å; F143-F177 HydrophobicContact CD1-CE1 3.92Å; F143-F177 HydrophobicContact CE1-CD1 4.09Å; F143-F177 AromaticContact CE1-CE1 3.92Å; F143-F177 HydrophobicContact CE1-CE1 3.92Å; F143-I194 HydrophobicContact CD1-CD1 3.71Å; F143-I194 HydrophobicContact CE1-CD1 4.06Å; F143-I194 HydrophobicContact CG-CD1 4.15Å
144	D	98.4	Very high	98.4	Very high	59 Å²	59	40 Å²	40	32%	0.316	20%	0.199	S	C	.	.			trans	-75.4	117.1	172.6	-171.8	-45.1	0	0	0	110.3	S35 T146 E147 L148	S35-D144 PolarHBondContact OG-N 2.73Å; D144-T146 PolarHBondContact O-N 2.9Å; D144-T146 WeakPolarHBondContact OD1-CA 3.4Å; D144-T146 VanDerWaalsContact OD1-CB 3.27Å; D144-T146 WeakPolarHBondContact OD1-CB 3.43Å; D144-T146 PolarHBondContact OD1-N 2.85Å; D144-E147 HydrophobicContact CB-CB 3.99Å; D144-E147 HydrophobicContact CB-CG 3.58Å; D144-E147 PolarHBondContact O-N 2.8Å; D144-E147 PolarHBondContact OD1-N 2.92Å; D144-L148 PolarHBondContact O-N 3.11Å; D144-L148 VanDerWaalsContact O-N 3.09Å
145	K	98.4	Very high	98.4	Very high	55 Å²	55	40 Å²	40	24%	0.239	20%	0.199	C	C	.	.	H	α-helix	trans	-54.7	-38.3	179.4	-70.8	173.8	-75.1	176.3	0	112.9	M125 M128 E129 H132 F143 L149	M125-K145 HydrophobicContact CE-CB 4.21Å; M128-K145 HydrophobicContact CB-CB 3.88Å; M128-K145 HydrophobicContact CB-CG 4.1Å; E129-K145 WeakPolarHBondContact OE1-CD 3.48Å; E129-K145 WeakPolarHBondContact OE1-CE 3.38Å; E129-K145 IonicContact OE1-NZ 2.79Å; E129-K145 PolarHBondContact OE1-NZ 3.18Å; E129-K145 WeakPolarHBondContact OE2-CD 3.38Å; E129-K145 IonicContact OE2-NZ 2.69Å; E129-K145 PolarHBondContact OE2-NZ 2.93Å; H132-K145 HydrophobicContact CB-CD 3.92Å; H132-K145 HydrophobicContact CB-CG 3.99Å; F143-K145 PolarHBondContact O-N 3.5Å; K145-L149 WeakPolarHBondContact O-CB 3.32Å; K145-L149 PolarHBondContact O-N 2.99Å; K145-L149 VanDerWaalsContact O-N 3.14Å
146	T	98.4	Very high	98.4	Very high	73 Å²	73	40 Å²	40	45%	0.448	20%	0.199	S	C	.	.	H	α-helix	trans	-71.8	-44.3	-178.3	-51	0	0	0	0	110	D144 L148 L149 Q150	D144-T146 PolarHBondContact O-N 2.9Å; D144-T146 WeakPolarHBondContact OD1-CA 3.4Å; D144-T146 VanDerWaalsContact OD1-CB 3.27Å; D144-T146 WeakPolarHBondContact OD1-CB 3.43Å; D144-T146 PolarHBondContact OD1-N 2.85Å; T146-L148 PolarHBondContact O-N 2.99Å; T146-L149 PolarHBondContact O-N 2.82Å; T146-Q150 WeakPolarHBondContact O-CG 3.33Å; T146-Q150 PolarHBondContact O-N 2.8Å
147	E	98.7	Very high	98.4	Very high	37 Å²	37	38.3 Å²	38.3	17%	0.173	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-44.1	178.9	-59.6	-69.6	175.5	0	0	111.4	F36 K37 A38 D144 L149 Q150 C151	F36-E147 HydrophobicContact CD2-CB 4.29Å; F36-E147 HydrophobicContact CE2-CB 4.08Å; K37-E147 WeakPolarHBondContact CA-OE2 3.22Å; K37-E147 VanDerWaalsContact CD-CD 3.47Å; K37-E147 HydrophobicContact CD-CG 4.04Å; K37-E147 WeakPolarHBondContact CD-OE1 3.11Å; K37-E147 IonicContact NZ-OE1 3.16Å; K37-E147 PolarHBondContact NZ-OE1 2.46Å; A38-E147 PolarHBondContact N-OE2 3.07Å; D144-E147 HydrophobicContact CB-CB 3.99Å; D144-E147 HydrophobicContact CB-CG 3.58Å; D144-E147 PolarHBondContact O-N 2.8Å; D144-E147 PolarHBondContact OD1-N 2.92Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 2.88Å; E147-Q150 PolarHBondContact O-N 2.8Å; E147-C151 PolarHBondContact O-N 2.76Å; E147-C151 PolarHBondContact O-SG 3.15Å
148	L	98.9	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-43.1	175.2	-176.4	56.8	0	0	0	111.6	F36 L69 I71 M128 M131 F143 D144 T146 Q150 C151 I152 I194	F36-L148 HydrophobicContact CE2-CB 4.23Å; F36-L148 HydrophobicContact CE2-CD1 4.47Å; F36-L148 HydrophobicContact CZ-CB 3.93Å; F36-L148 HydrophobicContact CZ-CD1 4.08Å; L69-L148 HydrophobicContact CD2-CD1 4.13Å; I71-L148 HydrophobicContact CD1-CD1 4.19Å; M128-L148 HydrophobicContact SD-CB 4.22Å; M128-L148 HydrophobicContact SD-CD2 4Å; M128-L148 HydrophobicContact SD-CG 4.06Å; M131-L148 HydrophobicContact CE-CD2 4.02Å; M131-L148 HydrophobicContact SD-CD2 3.65Å; F143-L148 HydrophobicContact CD2-CB 3.98Å; F143-L148 HydrophobicContact CD2-CD2 3.97Å; F143-L148 HydrophobicContact CE2-CB 4.02Å; F143-L148 HydrophobicContact CE2-CD2 3.39Å; F143-L148 HydrophobicContact CE2-CG 4.34Å; F143-L148 HydrophobicContact CZ-CD2 3.73Å; D144-L148 PolarHBondContact O-N 3.11Å; D144-L148 VanDerWaalsContact O-N 3.09Å; T146-L148 PolarHBondContact O-N 2.99Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 2.91Å; L148-C151 PolarHBondContact O-N 3.13Å; L148-I152 HydrophobicContact CD1-CD1 4.29Å; L148-I152 HydrophobicContact CD1-CG1 4.44Å; L148-I152 HydrophobicContact CG-CD1 3.97Å; L148-I152 WeakPolarHBondContact O-CG1 3.5Å; L148-I152 PolarHBondContact O-N 3.29Å; L148-I194 HydrophobicContact CD1-CG2 4.1Å
149	L	98.8	Very high	98.5	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-40.1	177.8	179.9	57	0	0	0	111.8	L121 P124 M125 M128 K145 T146 E147 I152 K153	L121-L149 HydrophobicContact CD1-CD1 3.96Å; P124-L149 HydrophobicContact CB-CD1 3.63Å; P124-L149 HydrophobicContact CB-CD2 4.12Å; P124-L149 HydrophobicContact CG-CD1 4.23Å; P124-L149 HydrophobicContact CG-CD2 4.06Å; M125-L149 HydrophobicContact CG-CD2 4.05Å; M125-L149 HydrophobicContact SD-CD2 3.4Å; M125-L149 WeakPolarHBondContact SD-CD2 3.43Å; M128-L149 HydrophobicContact CG-CB 4.08Å; M128-L149 HydrophobicContact SD-CB 4.22Å; K145-L149 WeakPolarHBondContact O-CB 3.32Å; K145-L149 PolarHBondContact O-N 2.99Å; K145-L149 VanDerWaalsContact O-N 3.14Å; T146-L149 PolarHBondContact O-N 2.82Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 2.88Å; L149-I152 PolarHBondContact O-N 3.42Å; L149-K153 HydrophobicContact CD1-CG 4.42Å; L149-K153 WeakPolarHBondContact O-CG 3.44Å; L149-K153 PolarHBondContact O-N 3.48Å
150	Q	98.8	Very high	98.5	Very high	85 Å²	85	32.6 Å²	32.6	40%	0.397	16%	0.161	S	C	.	.	H	α-helix	trans	-64.1	-40.8	175.9	-65.1	-57.8	-16.6	0	0	111.7	A38 T146 E147 L148 I152 K153 K154	A38-Q150 HydrophobicContact CB-CB 3.58Å; T146-Q150 WeakPolarHBondContact O-CG 3.33Å; T146-Q150 PolarHBondContact O-N 2.8Å; E147-Q150 PolarHBondContact O-N 2.8Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 2.91Å; Q150-I152 VanDerWaalsContact C-N 3.33Å; Q150-I152 PolarHBondContact O-N 3.35Å; Q150-K153 PolarHBondContact O-N 3.19Å; Q150-K154 PolarHBondContact O-N 3.27Å
151	C	98.9	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-41.4	173.9	-62.6	0	0	0	0	112.1	L69 E147 L148 K154 L155	L69-C151 HydrophobicContact CD1-CB 4.06Å; L69-C151 HydrophobicContact CD2-CB 3.56Å; L69-C151 HydrophobicContact CG-CB 4.5Å; E147-C151 PolarHBondContact O-N 2.76Å; E147-C151 PolarHBondContact O-SG 3.15Å; L148-C151 PolarHBondContact O-N 3.13Å; C151-K154 PolarHBondContact O-N 2.89Å; C151-L155 PolarHBondContact O-N 2.9Å
152	I	98.9	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-43.7	176.2	-70.8	168.3	0	0	0	111.3	M109 M128 L148 L149 Q150 K154 L155 V156 I173 P175 V196	M109-I152 HydrophobicContact CE-CD1 3.59Å; M109-I152 HydrophobicContact CE-CG2 4.07Å; M128-I152 HydrophobicContact CE-CD1 4.03Å; M128-I152 HydrophobicContact SD-CD1 4.29Å; L148-I152 HydrophobicContact CD1-CD1 4.29Å; L148-I152 HydrophobicContact CD1-CG1 4.44Å; L148-I152 HydrophobicContact CG-CD1 3.97Å; L148-I152 WeakPolarHBondContact O-CG1 3.5Å; L148-I152 PolarHBondContact O-N 3.29Å; L149-I152 PolarHBondContact O-N 3.42Å; Q150-I152 VanDerWaalsContact C-N 3.33Å; Q150-I152 PolarHBondContact O-N 3.35Å; I152-K154 VanDerWaalsContact C-N 3.28Å; I152-K154 PolarHBondContact O-N 2.92Å; I152-L155 PolarHBondContact O-N 2.88Å; I152-V156 WeakPolarHBondContact O-CG2 3.4Å; I152-V156 PolarHBondContact O-N 2.9Å; I152-I173 HydrophobicContact CG2-CD1 4.17Å; I152-I173 HydrophobicContact CG2-CG2 3.85Å; I152-P175 HydrophobicContact CD1-CB 4.48Å; I152-P175 HydrophobicContact CD1-CG 3.88Å; I152-V196 HydrophobicContact CD1-CG2 4.27Å; I152-V196 HydrophobicContact CG1-CG1 4.33Å; I152-V196 HydrophobicContact CG1-CG2 3.92Å
153	K	98.8	Very high	98.5	Very high	44 Å²	44	33 Å²	33	19%	0.191	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-43.8	174.7	-73.1	176.9	178.6	-177.3	0	110.9	L121 L149 Q150 L155 V156 E157 V396	L121-K153 HydrophobicContact CD1-CG 3.97Å; L149-K153 HydrophobicContact CD1-CG 4.42Å; L149-K153 WeakPolarHBondContact O-CG 3.44Å; L149-K153 PolarHBondContact O-N 3.48Å; Q150-K153 PolarHBondContact O-N 3.19Å; K153-L155 PolarHBondContact O-N 3.28Å; K153-V156 PolarHBondContact O-N 3.24Å; K153-E157 WeakPolarHBondContact O-CB 3.49Å; K153-E157 PolarHBondContact O-N 2.83Å; K153-V396 HydrophobicContact CD-CB 4.47Å; K153-V396 HydrophobicContact CD-CG1 3.9Å; K153-V396 HydrophobicContact CG-CB 4.18Å; K153-V396 HydrophobicContact CG-CG1 3.82Å
154	K	98.8	Very high	98.4	Very high	65 Å²	65	33 Å²	33	28%	0.283	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-37.9	177.3	-166.7	55	167.3	-175.4	0	112.6	L41 I43 I84 Q150 C151 I152 E157 V158	L41-K154 HydrophobicContact CD2-CB 3.67Å; L41-K154 HydrophobicContact CD2-CG 3.57Å; I43-K154 HydrophobicContact CD1-CD 4.31Å; I43-K154 HydrophobicContact CD1-CG 3.94Å; I84-K154 HydrophobicContact CD1-CB 4.05Å; I84-K154 HydrophobicContact CD1-CG 3.92Å; Q150-K154 PolarHBondContact O-N 3.27Å; C151-K154 PolarHBondContact O-N 2.89Å; I152-K154 VanDerWaalsContact C-N 3.28Å; I152-K154 PolarHBondContact O-N 2.92Å; K154-E157 HydrophobicContact CD-CB 4.45Å; K154-E157 WeakPolarHBondContact CD-OE2 3.33Å; K154-E157 IonicContact NZ-OE1 3.8Å; K154-E157 PolarHBondContact NZ-OE1 3.28Å; K154-E157 IonicContact NZ-OE2 2.92Å; K154-E157 PolarHBondContact NZ-OE2 2.74Å; K154-E157 WeakPolarHBondContact O-CB 3.14Å; K154-E157 PolarHBondContact O-N 3.34Å; K154-V158 WeakPolarHBondContact O-CB 3.19Å; K154-V158 WeakPolarHBondContact O-CG2 3.3Å; K154-V158 PolarHBondContact O-N 3.37Å
155	L	98.8	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-44.4	172.8	176.5	63.5	0	0	0	111.7	H67 L69 I84 C151 I152 K153 E157 V158 D159 V196 I198	H67-L155 HydrophobicContact CB-CD1 3.93Å; L69-L155 HydrophobicContact CB-CD2 4.07Å; I84-L155 HydrophobicContact CD1-CB 4.02Å; I84-L155 HydrophobicContact CG1-CB 4.27Å; I84-L155 HydrophobicContact CG1-CD1 4.27Å; I84-L155 HydrophobicContact CG2-CD1 4Å; C151-L155 PolarHBondContact O-N 2.9Å; I152-L155 PolarHBondContact O-N 2.88Å; K153-L155 PolarHBondContact O-N 3.28Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 2.9Å; L155-V158 PolarHBondContact O-N 2.9Å; L155-D159 PolarHBondContact O-N 3.26Å; L155-V196 HydrophobicContact CD2-CB 3.94Å; L155-V196 HydrophobicContact CD2-CG1 3.9Å; L155-I198 HydrophobicContact CD1-CD1 4.34Å; L155-I198 HydrophobicContact CD2-CD1 4.4Å; L155-I198 HydrophobicContact CD2-CG2 3.94Å; L155-I198 HydrophobicContact CG-CD1 3.92Å; L155-I198 HydrophobicContact CG-CG2 4.47Å
156	V	98.8	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-37.9	175.9	173.4	0	0	0	0	111.4	A111 I119 I152 K153 D159 Q160 V163 L171 I173	A111-V156 HydrophobicContact CB-CG1 4.09Å; I119-V156 HydrophobicContact CG2-CG1 3.98Å; I152-V156 WeakPolarHBondContact O-CG2 3.4Å; I152-V156 PolarHBondContact O-N 2.9Å; K153-V156 PolarHBondContact O-N 3.24Å; V156-D159 CarbonylContact O-C 3.45Å; V156-D159 PolarHBondContact O-N 3.47Å; V156-Q160 WeakPolarHBondContact O-CA 3.14Å; V156-Q160 WeakPolarHBondContact O-CB 3.38Å; V156-Q160 PolarHBondContact O-N 2.69Å; V156-V163 HydrophobicContact CG1-CG2 4.3Å; V156-L171 HydrophobicContact CG1-CD2 4.43Å; V156-L171 HydrophobicContact CG2-CD2 4.31Å; V156-I173 HydrophobicContact CG2-CD1 3.7Å; V156-I173 HydrophobicContact CG2-CG1 4.35Å
157	E	98.6	Very high	97.6	Very high	70 Å²	70	34.9 Å²	34.9	33%	0.327	17%	0.167	S	C	.	.	H	α-helix	trans	-64.9	-42.9	175.1	-171.6	-160.2	141.7	0	0	112.1	K153 K154 L155 D159 Q160 V397	K153-E157 WeakPolarHBondContact O-CB 3.49Å; K153-E157 PolarHBondContact O-N 2.83Å; K154-E157 HydrophobicContact CD-CB 4.45Å; K154-E157 WeakPolarHBondContact CD-OE2 3.33Å; K154-E157 IonicContact NZ-OE1 3.8Å; K154-E157 PolarHBondContact NZ-OE1 3.28Å; K154-E157 IonicContact NZ-OE2 2.92Å; K154-E157 PolarHBondContact NZ-OE2 2.74Å; K154-E157 WeakPolarHBondContact O-CB 3.14Å; K154-E157 PolarHBondContact O-N 3.34Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 2.9Å; E157-D159 VanDerWaalsContact C-N 3.3Å; E157-D159 PolarHBondContact O-N 2.88Å; E157-Q160 PolarHBondContact O-N 3.49Å; E157-Q160 PolarHBondContact O-NE2 2.97Å; E157-Q160 VanDerWaalsContact O-NE2 3.15Å; E157-V397 HydrophobicContact CB-CG2 3.97Å; E157-V397 HydrophobicContact CG-CG1 4.48Å; E157-V397 HydrophobicContact CG-CG2 4.24Å
158	V	98.4	Very high	97.1	Very high	12 Å²	12	38.1 Å²	38.1	7%	0.073	19%	0.185	C	C	.	.	H	α-helix	trans	-58.6	-43.7	176.3	161	0	0	0	0	110.7	I43 R45 H67 I84 K154 L155	I43-V158 HydrophobicContact CD1-CG2 4.04Å; I43-V158 HydrophobicContact CG2-CG2 4.16Å; R45-V158 PolarHBondContact NH1-O 3.38Å; H67-V158 HydrophobicContact CB-CG1 4.21Å; H67-V158 WeakPolarHBondContact ND1-CG1 3.49Å; I84-V158 HydrophobicContact CD1-CG2 4.22Å; I84-V158 HydrophobicContact CG2-CG1 4.02Å; I84-V158 HydrophobicContact CG2-CG2 4.39Å; K154-V158 WeakPolarHBondContact O-CB 3.19Å; K154-V158 WeakPolarHBondContact O-CG2 3.3Å; K154-V158 PolarHBondContact O-N 3.37Å; L155-V158 PolarHBondContact O-N 2.9Å
159	D	98.4	Very high	96.8	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.032	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	29.3	-176.8	-82.2	-19.1	0	0	0	112.8	S65 D66 H67 L155 V156 E157 D161 W162 I198	S65-D159 WeakPolarHBondContact CB-OD2 3.31Å; S65-D159 PolarHBondContact OG-OD2 2.69Å; D66-D159 PolarHBondContact N-OD2 3.05Å; H67-D159 WeakPolarHBondContact CB-OD2 3.44Å; H67-D159 IonicContact CE1-OD1 3.11Å; H67-D159 PolarHBondContact CE1-OD1 2.91Å; H67-D159 IonicContact CG-OD1 2.7Å; H67-D159 IonicContact CG-OD2 3.25Å; H67-D159 PolarHBondContact N-OD2 2.78Å; H67-D159 IonicContact ND1-OD1 2.88Å; H67-D159 PolarHBondContact ND1-OD1 2.81Å; H67-D159 IonicContact ND1-OD2 3.29Å; H67-D159 PolarHBondContact ND1-OD2 2.75Å; L155-D159 PolarHBondContact O-N 3.26Å; V156-D159 CarbonylContact O-C 3.45Å; V156-D159 PolarHBondContact O-N 3.47Å; E157-D159 VanDerWaalsContact C-N 3.3Å; E157-D159 PolarHBondContact O-N 2.88Å; D159-D161 PolarHBondContact O-N 2.86Å; D159-D161 VanDerWaalsContact O-N 3.08Å; D159-W162 VanDerWaalsContact O-CB 3.27Å; D159-W162 WeakPolarHBondContact O-CB 3.48Å; D159-W162 PolarHBondContact O-N 3.49Å; D159-I198 HydrophobicContact CB-CD1 3.54Å
160	Q	98.1	Very high	96.7	Very high	66 Å²	66	38 Å²	38	31%	0.308	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-58.6	-29.4	-172.1	65.7	-179.5	-78.9	0	0	114.1	R113 I119 V156 E157 W162 V163 V397	R113-Q160 PolarHBondContact NH2-O 3.17Å; I119-Q160 HydrophobicContact CD1-CB 3.6Å; V156-Q160 WeakPolarHBondContact O-CA 3.14Å; V156-Q160 WeakPolarHBondContact O-CB 3.38Å; V156-Q160 PolarHBondContact O-N 2.69Å; E157-Q160 PolarHBondContact O-N 3.49Å; E157-Q160 PolarHBondContact O-NE2 2.97Å; E157-Q160 VanDerWaalsContact O-NE2 3.15Å; Q160-W162 PolarHBondContact O-N 2.58Å; Q160-V163 WeakPolarHBondContact O-CB 3.25Å; Q160-V163 WeakPolarHBondContact O-CG2 3.34Å; Q160-V163 PolarHBondContact O-N 2.79Å; Q160-V397 HydrophobicContact CB-CG1 4.37Å
161	D	96.9	Very high	96.7	Very high	92 Å²	92	33.9 Å²	33.9	49%	0.492	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-67.8	-17.8	177.4	-64.6	-22.3	0	0	0	112.7	D159 V163	D159-D161 PolarHBondContact O-N 2.86Å; D159-D161 VanDerWaalsContact O-N 3.08Å; D161-V163 VanDerWaalsContact C-N 3.29Å
162	W	98	Very high	96.7	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.042	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-78.3	-13.7	171.5	-71.3	88.3	0	0	0	113	K50 K52 P53 F64 D66 D159 Q160 P164 L171 P200	K50-W162 HydrophobicContact CB-CH2 4Å; K50-W162 HydrophobicContact CB-CZ2 3.87Å; K52-W162 HydrophobicContact CG-CD2 4.41Å; P53-W162 HydrophobicContact CG-CZ3 4.31Å; F64-W162 WeakPolarHBondContact O-CH2 3.37Å; D66-W162 PolarHBondContact OD2-NE1 2.77Å; D159-W162 VanDerWaalsContact O-CB 3.27Å; D159-W162 WeakPolarHBondContact O-CB 3.48Å; D159-W162 PolarHBondContact O-N 3.49Å; Q160-W162 PolarHBondContact O-N 2.58Å; W162-P164 WeakPolarHBondContact O-CD 3.17Å; W162-L171 HydrophobicContact CB-CD1 3.89Å; W162-P200 HydrophobicContact CE3-CG 3.94Å; W162-P200 HydrophobicContact CZ3-CG 4.24Å
163	V	98.1	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-71.4	110.8	169.9	-169.6	0	0	0	0	107.9	A111 R113 I119 V156 Q160 D161 F165 L171	A111-V163 HydrophobicContact CB-CG2 4.41Å; R113-V163 HydrophobicContact CB-CG1 3.76Å; R113-V163 PolarHBondContact NE-O 3.03Å; R113-V163 VanDerWaalsContact NE-O 3.11Å; I119-V163 HydrophobicContact CD1-CB 4.05Å; I119-V163 HydrophobicContact CD1-CG2 3.73Å; I119-V163 HydrophobicContact CG1-CB 4.31Å; I119-V163 HydrophobicContact CG1-CG1 4.31Å; I119-V163 HydrophobicContact CG1-CG2 4.23Å; I119-V163 HydrophobicContact CG2-CG1 4.44Å; I119-V163 HydrophobicContact CG2-CG2 4.12Å; V156-V163 HydrophobicContact CG1-CG2 4.3Å; Q160-V163 WeakPolarHBondContact O-CB 3.25Å; Q160-V163 WeakPolarHBondContact O-CG2 3.34Å; Q160-V163 PolarHBondContact O-N 2.79Å; D161-V163 VanDerWaalsContact C-N 3.29Å; V163-F165 PolarHBondContact O-N 3.18Å; V163-L171 HydrophobicContact CB-CB 4.36Å; V163-L171 HydrophobicContact CG1-CB 4.33Å; V163-L171 HydrophobicContact CG2-CB 3.94Å; V163-L171 HydrophobicContact CG2-CD2 3.76Å; V163-L171 HydrophobicContact CG2-CG 4.41Å
164	P	96.9	Very high	96.7	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.058	17%	0.174	C	C	.	.			trans	-55.8	140.6	-167.5	-28.1	37	0	0	0	113	P55 L58 W162 S166 A169 P200	P55-P164 HydrophobicContact CB-CB 4.45Å; P55-P164 HydrophobicContact CG-CB 4.35Å; L58-P164 HydrophobicContact CD1-CG 4.05Å; W162-P164 WeakPolarHBondContact O-CD 3.17Å; P164-S166 PolarHBondContact O-N 2.89Å; P164-A169 HydrophobicContact CB-CB 3.72Å; P164-A169 HydrophobicContact CG-CB 3.88Å; P164-P200 HydrophobicContact CG-CB 3.87Å
165	F	95.4	Very high	96.7	Very high	138 Å²	138	33.2 Å²	33.2	61%	0.605	16%	0.161	S	C	*	.	S	Bend	trans	-77	62.4	167.1	-69.4	-89.3	0	0	0	110.1	V163	V163-F165 PolarHBondContact O-N 3.18Å
166	S	92.9	Very high	96.7	Very high	29 Å²	29	34.1 Å²	34.1	20%	0.203	17%	0.166	C	C	.	.	S	Bend	trans	-152.9	144.8	-179.4	169.6	0	0	0	0	109.8	P164 D168 A169	P164-S166 PolarHBondContact O-N 2.89Å; S166-D168 VanDerWaalsContact C-N 3.28Å; S166-D168 PolarHBondContact OG-N 2.94Å; S166-D168 VanDerWaalsContact OG-N 3.07Å; S166-A169 PolarHBondContact OG-N 3.38Å
167	Q	89.4	Confident	96.7	Very high	60 Å²	60	34.1 Å²	34.1	28%	0.28	17%	0.166	S	C	.	.	S	Bend	trans	-87.6	-0.3	175	-63.1	-64.8	-45.4	0	0	112.6	R113 G114 Y385	R113-Q167 PolarHBondContact O-NE2 3.39Å; R113-Q167 VanDerWaalsContact O-NE2 3.14Å; G114-Q167 PolarHBondContact O-NE2 2.81Å; Q167-Y385 VanDerWaalsContact C-CZ 3.48Å; Q167-Y385 WeakPolarHBondContact O-CE2 3.39Å; Q167-Y385 PolarHBondContact O-OH 2.74Å
168	D	88.1	Confident	96.7	Very high	105 Å²	105	31.2 Å²	31.2	56%	0.561	15%	0.153	S	C	*	.	S	Bend	trans	-115.3	-0.3	179.6	-59.7	-51.2	0	0	0	112.4	S166 P203	S166-D168 VanDerWaalsContact C-N 3.28Å; S166-D168 PolarHBondContact OG-N 2.94Å; S166-D168 VanDerWaalsContact OG-N 3.07Å; D168-P203 WeakPolarHBondContact O-CD 3.27Å
169	A	94	Very high	96.8	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.017	15%	0.15	C	C	.	.			trans	-129.8	158.9	-179.4	0	0	0	0	0	111.5	L58 P164 S166 V201 Y385	L58-A169 HydrophobicContact CD1-CB 3.96Å; P164-A169 HydrophobicContact CB-CB 3.72Å; P164-A169 HydrophobicContact CG-CB 3.88Å; S166-A169 PolarHBondContact OG-N 3.38Å; A169-V201 WeakPolarHBondContact CA-O 3.1Å; A169-V201 WeakPolarHBondContact CB-O 3.46Å; A169-Y385 PolarHBondContact N-OH 2.96Å; A169-Y385 PolarHBondContact O-OH 3.46Å
170	S	96.8	Very high	96.8	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	167	-175.3	55.3	0	0	0	0	110.6	K110 A111 V201	K110-S170 VanDerWaalsContact CD-OG 3.3Å; K110-S170 WeakPolarHBondContact CD-OG 3.33Å; K110-S170 VanDerWaalsContact CE-OG 3.31Å; K110-S170 WeakPolarHBondContact CE-OG 3.37Å; A111-S170 WeakPolarHBondContact O-CB 2.88Å; S170-V201 PolarHBondContact N-O 2.99Å; S170-V201 WeakPolarHBondContact O-CG2 3.37Å; S170-V201 PolarHBondContact O-N 3.19Å; S170-V201 WeakPolarHBondContact OG-CG2 3.3Å
171	L	98.1	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.5	168.5	-175.9	78.7	0	0	0	108.6	K110 A111 V156 W162 V163 I198	K110-L171 CarbonylContact C-O 3.47Å; K110-L171 VanDerWaalsContact CA-O 3.24Å; K110-L171 WeakPolarHBondContact CA-O 3.33Å; A111-L171 HydrophobicContact CB-CB 4.21Å; A111-L171 HydrophobicContact CB-CD2 4.47Å; A111-L171 PolarHBondContact N-O 3.03Å; A111-L171 PolarHBondContact O-N 3.16Å; V156-L171 HydrophobicContact CG1-CD2 4.43Å; V156-L171 HydrophobicContact CG2-CD2 4.31Å; W162-L171 HydrophobicContact CB-CD1 3.89Å; V163-L171 HydrophobicContact CB-CB 4.36Å; V163-L171 HydrophobicContact CG1-CB 4.33Å; V163-L171 HydrophobicContact CG2-CB 3.94Å; V163-L171 HydrophobicContact CG2-CD2 3.76Å; V163-L171 HydrophobicContact CG2-CG 4.41Å; L171-I198 HydrophobicContact CD1-CB 4.24Å; L171-I198 HydrophobicContact CD1-CG1 4.43Å; L171-I198 HydrophobicContact CD2-CB 4.02Å; L171-I198 HydrophobicContact CD2-CD1 3.84Å; L171-I198 HydrophobicContact CD2-CG1 4.25Å; L171-I198 HydrophobicContact CG-CB 4.13Å
172	Y	98.5	Very high	96.8	Very high	26 Å²	26	28.4 Å²	28.4	10%	0.102	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.2	174.2	-169.1	-86.8	0	0	0	110.3	F60 G108 K110 R174 I198 G199 T344	F60-Y172 AromaticContact CE2-CD2 3.69Å; F60-Y172 HydrophobicContact CE2-CD2 3.69Å; F60-Y172 AromaticContact CE2-CE2 3.83Å; F60-Y172 HydrophobicContact CE2-CE2 3.83Å; F60-Y172 HydrophobicContact CE2-CG 4.16Å; F60-Y172 HydrophobicContact CZ-CD2 4.15Å; F60-Y172 AromaticContact CZ-CE2 3.89Å; F60-Y172 HydrophobicContact CZ-CE2 3.89Å; G108-Y172 WeakPolarHBondContact CA-OH 3.38Å; K110-Y172 HydrophobicContact CG-CD2 4.07Å; Y172-R174 HydrophobicContact CD1-CB 4.3Å; Y172-R174 HydrophobicContact CE1-CB 4.02Å; Y172-R174 PolarHBondContact OH-NH2 2.87Å; Y172-I198 VanDerWaalsContact O-CA 3.25Å; Y172-I198 WeakPolarHBondContact O-CA 3.47Å; Y172-G199 PolarHBondContact N-O 3.47Å; Y172-G199 PolarHBondContact O-N 3.09Å; Y172-T344 HydrophobicContact CE2-CG2 4.2Å
173	I	98.9	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.1	-179.9	-51.3	173.4	0	0	0	108.5	M109 A111 L121 I152 V156 P175 V196 I198	M109-I173 HydrophobicContact CE-CG2 4.09Å; M109-I173 HydrophobicContact CG-CB 3.91Å; M109-I173 HydrophobicContact CG-CD1 4.28Å; M109-I173 HydrophobicContact CG-CG2 4.35Å; M109-I173 PolarHBondContact N-O 3.41Å; M109-I173 PolarHBondContact O-N 3.47Å; A111-I173 HydrophobicContact CB-CD1 4.25Å; L121-I173 HydrophobicContact CD2-CD1 3.5Å; L121-I173 VanDerWaalsContact CD2-CD1 3.5Å; I152-I173 HydrophobicContact CG2-CD1 4.17Å; I152-I173 HydrophobicContact CG2-CG2 3.85Å; V156-I173 HydrophobicContact CG2-CD1 3.7Å; V156-I173 HydrophobicContact CG2-CG1 4.35Å; I173-P175 HydrophobicContact CG2-CG 4.37Å; I173-P175 WeakPolarHBondContact O-CD 3.37Å; I173-V196 HydrophobicContact CG2-CG1 3.64Å; I173-I198 HydrophobicContact CB-CG2 4.16Å; I173-I198 HydrophobicContact CG1-CG2 3.98Å; I173-I198 HydrophobicContact CG2-CG2 3.9Å
174	R	98.9	Very high	96.7	Very high	68 Å²	68	35.2 Å²	35.2	26%	0.257	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	81.3	-176.8	178.2	60.2	60.2	68.1	11.3	110.8	E107 Y172 T176 V196 I197	E107-R174 WeakPolarHBondContact O-CD 3.43Å; E107-R174 PolarHBondContact O-NE 3.26Å; Y172-R174 HydrophobicContact CD1-CB 4.3Å; Y172-R174 HydrophobicContact CE1-CB 4.02Å; Y172-R174 PolarHBondContact OH-NH2 2.87Å; R174-T176 PolarHBondContact O-OG1 3.27Å; R174-V196 WeakPolarHBondContact O-CA 3.31Å; R174-I197 HydrophobicContact CB-CD1 4.49Å; R174-I197 HydrophobicContact CB-CG1 3.73Å; R174-I197 WeakPolarHBondContact CB-O 3.19Å; R174-I197 HydrophobicContact CG-CD1 4.26Å; R174-I197 HydrophobicContact CG-CG1 3.96Å; R174-I197 PolarHBondContact N-O 2.82Å; R174-I197 PolarHBondContact O-N 2.83Å
175	P	98.9	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	136.9	163.1	-13.9	29.8	0	0	0	109.4	F106 E107 M109 M131 I152 I173 F195 V196	F106-P175 CarbonylContact C-O 3.2Å; F106-P175 VanDerWaalsContact CA-O 3.27Å; F106-P175 WeakPolarHBondContact CA-O 3.46Å; F106-P175 WeakPolarHBondContact CB-O 3.44Å; E107-P175 HydrophobicContact CB-CB 4.1Å; E107-P175 HydrophobicContact CB-CG 3.86Å; E107-P175 PolarHBondContact N-O 2.95Å; M109-P175 HydrophobicContact CE-CG 3.76Å; M131-P175 HydrophobicContact CE-CB 4.09Å; M131-P175 HydrophobicContact SD-CB 3.86Å; I152-P175 HydrophobicContact CD1-CB 4.48Å; I152-P175 HydrophobicContact CD1-CG 3.88Å; I173-P175 HydrophobicContact CG2-CG 4.37Å; I173-P175 WeakPolarHBondContact O-CD 3.37Å; P175-F195 CarbonylContact C-O 3.57Å; P175-V196 HydrophobicContact CB-CG2 4.09Å; P175-V196 HydrophobicContact CG-CG1 4.39Å; P175-V196 HydrophobicContact CG-CG2 4.48Å
176	T	98.9	Very high	96.8	Very high	19 Å²	19	35.5 Å²	35.5	12%	0.117	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.9	-178.2	-49.4	0	0	0	0	108.3	F106 R174 I178 I194 F195	F106-T176 HydrophobicContact CB-CG2 4.49Å; R174-T176 PolarHBondContact O-OG1 3.27Å; T176-I178 HydrophobicContact CG2-CG2 4.11Å; T176-I194 CarbonylContact O-C 3.53Å; T176-I194 WeakPolarHBondContact O-CA 3.48Å; T176-F195 HydrophobicContact CG2-CD1 4.38Å; T176-F195 HydrophobicContact CG2-CE1 3.51Å; T176-F195 HydrophobicContact CG2-CE2 4.14Å; T176-F195 HydrophobicContact CG2-CZ 3.38Å; T176-F195 PolarHBondContact N-O 2.81Å; T176-F195 PolarHBondContact O-N 2.89Å; T176-F195 VanDerWaalsContact O-O 3.13Å
177	F	98.9	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121	-177.5	-168.8	-178.3	0	0	0	109.4	W79 E104 L105 M131 T135 L140 P141 F143 A192 L193 I194	W79-F177 HydrophobicContact CH2-CE1 4.31Å; W79-F177 AromaticContact CH2-CE2 3.8Å; W79-F177 HydrophobicContact CH2-CE2 3.8Å; W79-F177 AromaticContact CH2-CZ 3.47Å; W79-F177 HydrophobicContact CH2-CZ 3.47Å; W79-F177 VanDerWaalsContact CH2-CZ 3.47Å; W79-F177 AromaticContact CZ2-CZ 3.89Å; W79-F177 HydrophobicContact CZ2-CZ 3.89Å; E104-F177 CarbonylContact C-O 3.58Å; E104-F177 VanDerWaalsContact CA-O 3.25Å; E104-F177 WeakPolarHBondContact CA-O 3.37Å; L105-F177 HydrophobicContact CD1-CB 3.68Å; L105-F177 HydrophobicContact CD1-CD1 4.36Å; L105-F177 HydrophobicContact CD2-CD1 4.43Å; L105-F177 HydrophobicContact CG-CB 3.92Å; L105-F177 PolarHBondContact N-O 3.39Å; L105-F177 PolarHBondContact O-N 2.82Å; M131-F177 HydrophobicContact CE-CB 3.87Å; M131-F177 HydrophobicContact CE-CD1 4.37Å; T135-F177 HydrophobicContact CG2-CD1 4.07Å; T135-F177 HydrophobicContact CG2-CE1 3.49Å; T135-F177 VanDerWaalsContact CG2-CE1 3.49Å; T135-F177 HydrophobicContact CG2-CZ 4.45Å; L140-F177 HydrophobicContact CB-CD1 4.28Å; L140-F177 HydrophobicContact CB-CE1 3.85Å; L140-F177 HydrophobicContact CB-CE2 4.34Å; L140-F177 HydrophobicContact CB-CZ 3.88Å; L140-F177 HydrophobicContact CD1-CB 4.36Å; L140-F177 HydrophobicContact CD1-CD1 4.01Å; L140-F177 HydrophobicContact CD1-CD2 3.98Å; L140-F177 HydrophobicContact CD1-CE1 4.38Å; L140-F177 HydrophobicContact CD1-CE2 4.35Å; L140-F177 HydrophobicContact CD1-CG 3.82Å; L140-F177 HydrophobicContact CD2-CD2 4.46Å; L140-F177 HydrophobicContact CD2-CE2 4.22Å; P141-F177 HydrophobicContact CG-CE2 4.23Å; P141-F177 HydrophobicContact CG-CZ 3.71Å; P141-F177 VanDerWaalsContact O-CE1 3.3Å; P141-F177 WeakPolarHBondContact O-CE1 3.37Å; P141-F177 VanDerWaalsContact O-CZ 3.27Å; P141-F177 WeakPolarHBondContact O-CZ 3.38Å; F143-F177 AromaticContact CD1-CE1 3.92Å; F143-F177 HydrophobicContact CD1-CE1 3.92Å; F143-F177 HydrophobicContact CE1-CD1 4.09Å; F143-F177 AromaticContact CE1-CE1 3.92Å; F143-F177 HydrophobicContact CE1-CE1 3.92Å; F177-A192 HydrophobicContact CD2-CB 4.46Å; F177-A192 HydrophobicContact CE2-CB 3.66Å; F177-A192 HydrophobicContact CZ-CB 4.48Å; F177-L193 WeakPolarHBondContact CA-O 3.12Å; F177-L193 WeakPolarHBondContact CD2-O 3.46Å; F177-I194 HydrophobicContact CB-CG1 4.1Å; F177-I194 HydrophobicContact CD1-CD1 4.12Å; F177-I194 HydrophobicContact CD1-CG1 3.89Å; F177-I194 HydrophobicContact CD2-CB 4.47Å; F177-I194 HydrophobicContact CD2-CD1 4.37Å; F177-I194 HydrophobicContact CD2-CG1 3.4Å; F177-I194 VanDerWaalsContact CD2-CG1 3.4Å; F177-I194 HydrophobicContact CE1-CD1 3.97Å; F177-I194 HydrophobicContact CE1-CG1 4.03Å; F177-I194 HydrophobicContact CE2-CD1 4.25Å; F177-I194 HydrophobicContact CE2-CG1 3.58Å; F177-I194 HydrophobicContact CG-CD1 4.3Å; F177-I194 HydrophobicContact CG-CG1 3.55Å; F177-I194 HydrophobicContact CZ-CD1 4.04Å; F177-I194 HydrophobicContact CZ-CG1 3.89Å
178	I	98.9	Very high	97	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.3	-172.2	62.8	170.6	0	0	0	111.6	L90 L92 A98 E104 T176 T180 A192 L193 F195	L90-I178 HydrophobicContact CD1-CD1 4.34Å; L92-I178 HydrophobicContact CD1-CD1 4.04Å; L92-I178 HydrophobicContact CD2-CD1 4.15Å; A98-I178 HydrophobicContact CB-CB 3.78Å; A98-I178 HydrophobicContact CB-CG2 4.2Å; E104-I178 HydrophobicContact CB-CG2 3.83Å; T176-I178 HydrophobicContact CG2-CG2 4.11Å; I178-T180 HydrophobicContact CD1-CG2 3.95Å; I178-T180 HydrophobicContact CG1-CG2 3.92Å; I178-A192 CarbonylContact O-C 3.49Å; I178-A192 VanDerWaalsContact O-CA 3.27Å; I178-A192 WeakPolarHBondContact O-CA 3.34Å; I178-A192 WeakPolarHBondContact O-CB 3.46Å; I178-L193 HydrophobicContact CD1-CB 4.45Å; I178-L193 HydrophobicContact CD1-CD2 4.28Å; I178-L193 HydrophobicContact CG1-CB 3.95Å; I178-L193 PolarHBondContact N-O 2.88Å; I178-L193 PolarHBondContact O-N 3.46Å; I178-F195 HydrophobicContact CD1-CE1 4.3Å; I178-F195 HydrophobicContact CG1-CE1 4.5Å; I178-F195 HydrophobicContact CG2-CE1 4.33Å
179	G	98.8	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.4	164.8	0	0	0	0	0	110.6	S97 A98 I103	S97-G179 PolarHBondContact OG-O 3.15Å; A98-G179 WeakPolarHBondContact CB-O 3.35Å; A98-G179 PolarHBondContact N-O 2.75Å; A98-G179 VanDerWaalsContact N-O 3.07Å; I103-G179 PolarHBondContact O-N 3.28Å
180	T	98.7	Very high	97.3	Very high	25 Å²	25	36.3 Å²	36.3	15%	0.153	21%	0.205	C	C	.	.			trans	-115	17.7	-177.1	57.2	0	0	0	0	112.7	L92 S96 I178 K191 A192 L193	L92-T180 HydrophobicContact CD2-CG2 3.99Å; S96-T180 PolarHBondContact OG-O 2.9Å; I178-T180 HydrophobicContact CD1-CG2 3.95Å; I178-T180 HydrophobicContact CG1-CG2 3.92Å; T180-K191 PolarHBondContact N-O 3.34Å; T180-K191 VanDerWaalsContact OG1-C 3.23Å; T180-K191 WeakPolarHBondContact OG1-CB 3.37Å; T180-K191 PolarHBondContact OG1-O 2.82Å; T180-A192 WeakPolarHBondContact OG1-CA 3.15Å; T180-A192 PolarHBondContact OG1-N 3.05Å; T180-L193 HydrophobicContact CG2-CB 3.87Å
181	E	97.9	Very high	97.4	Very high	39 Å²	39	41 Å²	41	18%	0.182	23%	0.225	C	C	.	.			trans	-54.1	120.1	178.7	-175.5	57.3	-140.9	0	0	111.7	A95 S96 S97 S183 A189 G190 K191	A95-E181 CarbonylContact C-O 3.32Å; S96-E181 VanDerWaalsContact CA-O 3.24Å; S96-E181 WeakPolarHBondContact CA-O 3.43Å; S97-E181 PolarHBondContact N-O 3.05Å; E181-S183 PolarHBondContact O-N 2.89Å; E181-A189 HydrophobicContact CB-CB 4.06Å; E181-G190 VanDerWaalsContact OE2-CA 3.24Å; E181-G190 WeakPolarHBondContact OE2-CA 3.3Å; E181-G190 PolarHBondContact OE2-N 2.86Å; E181-K191 PolarHBondContact OE2-N 2.74Å
182	P	97.7	Very high	97.4	Very high	52 Å²	52	41 Å²	41	34%	0.338	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-82.8	51.5	-177.3	35.7	-37.4	0	0	0	111.8	H93	H93-P182 HydrophobicContact CB-CB 4.02Å
183	S	96.8	Very high	97.4	Very high	48 Å²	48	40.7 Å²	40.7	34%	0.336	23%	0.225	S	C	.	.			trans	-145.7	144.8	-176.4	-177.5	0	0	0	0	111.2	E181 G185	E181-S183 PolarHBondContact O-N 2.89Å; S183-G185 VanDerWaalsContact C-N 3.25Å; S183-G185 PolarHBondContact OG-N 2.86Å; S183-G185 VanDerWaalsContact OG-N 3.14Å
184	L	97.8	Very high	97.4	Very high	106 Å²	106	40.7 Å²	40.7	56%	0.555	23%	0.225	S	C	*	.			trans	-87.4	7.2	172.1	-57.6	178.4	0	0	0	112.3	A95 Y101	A95-L184 HydrophobicContact CB-CD2 3.93Å; A95-L184 HydrophobicContact CB-CG 4.31Å; Y101-L184 PolarHBondContact OH-O 2.9Å
185	G	96.8	Very high	97.4	Very high	33 Å²	33	38.6 Å²	38.6	34%	0.34	22%	0.218	S	C	.	.	S	Bend	trans	-69.4	132.7	169.4	0	0	0	0	0	110.6	S183 S187	S183-G185 VanDerWaalsContact C-N 3.25Å; S183-G185 PolarHBondContact OG-N 2.86Å; S183-G185 VanDerWaalsContact OG-N 3.14Å; G185-S187 VanDerWaalsContact C-N 3.33Å; G185-S187 PolarHBondContact O-N 3.45Å
186	V	96.7	Very high	97.4	Very high	120 Å²	120	38.6 Å²	38.6	73%	0.727	22%	0.218	S	C	*	.			trans	-80.3	85.9	171.6	-173.2	0	0	0	0	108.5	Y101	Y101-V186 HydrophobicContact CD1-CG2 4.03Å; Y101-V186 HydrophobicContact CD2-CG2 4.3Å; Y101-V186 HydrophobicContact CE1-CG2 3.72Å; Y101-V186 HydrophobicContact CE2-CG2 4Å; Y101-V186 HydrophobicContact CG-CG2 4.33Å
187	S	93.6	Very high	97.4	Very high	69 Å²	69	38.9 Å²	38.9	48%	0.483	22%	0.218	S	C	.	.	S	Bend	trans	-140.3	173.9	-179.1	63.2	0	0	0	0	111.6	G185 A189	G185-S187 VanDerWaalsContact C-N 3.33Å; G185-S187 PolarHBondContact O-N 3.45Å; S187-A189 PolarHBondContact O-N 2.7Å
188	R	93	Very high	97.4	Very high	128 Å²	128	39 Å²	39	48%	0.483	22%	0.219	S	C	.	.			trans	-54.3	136.4	166.9	-175.5	179.7	-178.6	-169.4	-3.7	109.2	C139 G190	C139-R188 HydrophobicContact CB-CG 4.46Å; C139-R188 PolarHBondContact O-NE 3.1Å; R188-G190 PolarHBondContact O-N 2.98Å
189	A	92.5	Very high	97.4	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.033	22%	0.219	C	C	.	.			trans	-74.4	124	177.4	0	0	0	0	0	110.1	W73 E181 S187 K191	W73-A189 WeakPolarHBondContact CZ3-O 3.22Å; E181-A189 HydrophobicContact CB-CB 4.06Å; S187-A189 PolarHBondContact O-N 2.7Å; A189-K191 VanDerWaalsContact C-N 3.3Å; A189-K191 WeakPolarHBondContact CB-O 3.32Å
190	G	96.6	Very high	97.3	Very high	12 Å²	12	38.9 Å²	38.9	12%	0.124	22%	0.22	C	C	.	.	S	Bend	trans	-84.7	-4.9	172	0	0	0	0	0	112.9	W73 S74 E75 E181 R188	W73-G190 VanDerWaalsContact CZ3-C 3.48Å; W73-G190 WeakPolarHBondContact CZ3-O 3.4Å; S74-G190 CarbonylContact C-O 3.52Å; S74-G190 WeakPolarHBondContact CA-O 3.3Å; E75-G190 PolarHBondContact N-O 2.69Å; E181-G190 VanDerWaalsContact OE2-CA 3.24Å; E181-G190 WeakPolarHBondContact OE2-CA 3.3Å; E181-G190 PolarHBondContact OE2-N 2.86Å; R188-G190 PolarHBondContact O-N 2.98Å
191	K	98.4	Very high	97.1	Very high	101 Å²	101	37.8 Å²	37.8	44%	0.439	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.1	169.5	-61.2	-173.6	-177.6	-178.1	0	111.1	W73 T180 E181 A189	W73-K191 WeakPolarHBondContact O-CA 3.31Å; T180-K191 PolarHBondContact N-O 3.34Å; T180-K191 VanDerWaalsContact OG1-C 3.23Å; T180-K191 WeakPolarHBondContact OG1-CB 3.37Å; T180-K191 PolarHBondContact OG1-O 2.82Å; E181-K191 PolarHBondContact OE2-N 2.74Å; A189-K191 VanDerWaalsContact C-N 3.3Å; A189-K191 WeakPolarHBondContact CB-O 3.32Å
192	A	98.8	Very high	96.7	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	165.2	177.8	0	0	0	0	0	112	W73 L140 P141 F177 I178 T180	W73-A192 HydrophobicContact CB-CB 4.42Å; W73-A192 HydrophobicContact CE3-CB 4.19Å; W73-A192 PolarHBondContact N-O 3.5Å; W73-A192 PolarHBondContact O-N 3.08Å; L140-A192 HydrophobicContact CD2-CB 3.87Å; P141-A192 HydrophobicContact CG-CB 3.94Å; F177-A192 HydrophobicContact CD2-CB 4.46Å; F177-A192 HydrophobicContact CE2-CB 3.66Å; F177-A192 HydrophobicContact CZ-CB 4.48Å; I178-A192 CarbonylContact O-C 3.49Å; I178-A192 VanDerWaalsContact O-CA 3.27Å; I178-A192 WeakPolarHBondContact O-CA 3.34Å; I178-A192 WeakPolarHBondContact O-CB 3.46Å; T180-A192 WeakPolarHBondContact OG1-CA 3.15Å; T180-A192 PolarHBondContact OG1-N 3.05Å
193	L	98.9	Very high	95.9	Very high	18 Å²	18	36.5 Å²	36.5	9%	0.094	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	122.4	178.3	174.6	67.4	0	0	0	109.9	L90 F177 I178 T180 F195	L90-L193 HydrophobicContact CD1-CD2 4.23Å; L90-L193 HydrophobicContact CD2-CD2 3.95Å; F177-L193 WeakPolarHBondContact CA-O 3.12Å; F177-L193 WeakPolarHBondContact CD2-O 3.46Å; I178-L193 HydrophobicContact CD1-CB 4.45Å; I178-L193 HydrophobicContact CD1-CD2 4.28Å; I178-L193 HydrophobicContact CG1-CB 3.95Å; I178-L193 PolarHBondContact N-O 2.88Å; I178-L193 PolarHBondContact O-N 3.46Å; T180-L193 HydrophobicContact CG2-CB 3.87Å; L193-F195 HydrophobicContact CD2-CD1 4.22Å; L193-F195 HydrophobicContact CG-CD1 4.33Å
194	I	98.9	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.6	160	-67.2	175.8	0	0	0	108	F36 T70 I71 W79 F143 L148 T176 F177	F36-I194 HydrophobicContact CE1-CD1 4.18Å; T70-I194 CarbonylContact C-O 3.42Å; T70-I194 WeakPolarHBondContact CA-O 3.4Å; I71-I194 HydrophobicContact CB-CB 4.31Å; I71-I194 HydrophobicContact CD1-CG2 4.49Å; I71-I194 PolarHBondContact N-O 3.26Å; I71-I194 PolarHBondContact O-N 3Å; W79-I194 HydrophobicContact CH2-CD1 3.32Å; W79-I194 HydrophobicContact CH2-CG1 3.72Å; W79-I194 HydrophobicContact CZ2-CD1 4.11Å; W79-I194 HydrophobicContact CZ3-CD1 3.83Å; W79-I194 HydrophobicContact CZ3-CG1 4.03Å; F143-I194 HydrophobicContact CD1-CD1 3.71Å; F143-I194 HydrophobicContact CE1-CD1 4.06Å; F143-I194 HydrophobicContact CG-CD1 4.15Å; L148-I194 HydrophobicContact CD1-CG2 4.1Å; T176-I194 CarbonylContact O-C 3.53Å; T176-I194 WeakPolarHBondContact O-CA 3.48Å; F177-I194 HydrophobicContact CB-CG1 4.1Å; F177-I194 HydrophobicContact CD1-CD1 4.12Å; F177-I194 HydrophobicContact CD1-CG1 3.89Å; F177-I194 HydrophobicContact CD2-CB 4.47Å; F177-I194 HydrophobicContact CD2-CD1 4.37Å; F177-I194 HydrophobicContact CD2-CG1 3.4Å; F177-I194 VanDerWaalsContact CD2-CG1 3.4Å; F177-I194 HydrophobicContact CE1-CD1 3.97Å; F177-I194 HydrophobicContact CE1-CG1 4.03Å; F177-I194 HydrophobicContact CE2-CD1 4.25Å; F177-I194 HydrophobicContact CE2-CG1 3.58Å; F177-I194 HydrophobicContact CG-CD1 4.3Å; F177-I194 HydrophobicContact CG-CG1 3.55Å; F177-I194 HydrophobicContact CZ-CD1 4.04Å; F177-I194 HydrophobicContact CZ-CG1 3.89Å
195	F	98.9	Very high	92.9	Very high	24 Å²	24	35.6 Å²	35.6	11%	0.105	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.4	166.1	68.1	-88.8	0	0	0	111.9	M68 L69 T70 L90 P175 T176 I178 L193 I197	M68-F195 HydrophobicContact CE-CB 3.87Å; M68-F195 HydrophobicContact CE-CD2 4.02Å; M68-F195 HydrophobicContact CE-CG 4.22Å; L69-F195 CarbonylContact O-C 3.6Å; L69-F195 WeakPolarHBondContact O-CA 3.46Å; L69-F195 VanDerWaalsContact O-CB 3.31Å; L69-F195 WeakPolarHBondContact O-CB 3.44Å; T70-F195 HydrophobicContact CG2-CB 4.15Å; L90-F195 HydrophobicContact CD1-CD1 3.99Å; L90-F195 HydrophobicContact CD1-CE1 3.68Å; L90-F195 HydrophobicContact CD1-CZ 4.01Å; P175-F195 CarbonylContact C-O 3.57Å; T176-F195 HydrophobicContact CG2-CD1 4.38Å; T176-F195 HydrophobicContact CG2-CE1 3.51Å; T176-F195 HydrophobicContact CG2-CE2 4.14Å; T176-F195 HydrophobicContact CG2-CZ 3.38Å; T176-F195 PolarHBondContact N-O 2.81Å; T176-F195 PolarHBondContact O-N 2.89Å; T176-F195 VanDerWaalsContact O-O 3.13Å; I178-F195 HydrophobicContact CD1-CE1 4.3Å; I178-F195 HydrophobicContact CG1-CE1 4.5Å; I178-F195 HydrophobicContact CG2-CE1 4.33Å; L193-F195 HydrophobicContact CD2-CD1 4.22Å; L193-F195 HydrophobicContact CG-CD1 4.33Å; F195-I197 HydrophobicContact CD2-CG2 4.13Å; F195-I197 HydrophobicContact CE2-CG2 4.41Å
196	V	98.9	Very high	90.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.3	176.1	-171.4	0	0	0	0	108.7	M68 L69 I152 L155 I173 R174 P175 I198	M68-V196 WeakPolarHBondContact CA-O 3.31Å; M68-V196 WeakPolarHBondContact CB-O 3.39Å; L69-V196 HydrophobicContact CB-CB 3.89Å; L69-V196 HydrophobicContact CB-CG2 4.08Å; L69-V196 HydrophobicContact CD2-CB 4.4Å; L69-V196 HydrophobicContact CD2-CG2 3.72Å; L69-V196 HydrophobicContact CG-CG2 4.38Å; L69-V196 PolarHBondContact N-O 2.62Å; L69-V196 PolarHBondContact O-N 2.88Å; I152-V196 HydrophobicContact CD1-CG2 4.27Å; I152-V196 HydrophobicContact CG1-CG1 4.33Å; I152-V196 HydrophobicContact CG1-CG2 3.92Å; L155-V196 HydrophobicContact CD2-CB 3.94Å; L155-V196 HydrophobicContact CD2-CG1 3.9Å; I173-V196 HydrophobicContact CG2-CG1 3.64Å; R174-V196 WeakPolarHBondContact O-CA 3.31Å; P175-V196 HydrophobicContact CB-CG2 4.09Å; P175-V196 HydrophobicContact CG-CG1 4.39Å; P175-V196 HydrophobicContact CG-CG2 4.48Å; V196-I198 HydrophobicContact CG1-CG2 4.31Å
197	I	98.9	Very high	88	Confident	25 Å²	25	38 Å²	38	13%	0.128	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.8	169.8	62	-174.9	0	0	0	109	F64 M68 F87 R174 F195	F64-I197 HydrophobicContact CD1-CB 4.28Å; F64-I197 HydrophobicContact CD1-CD1 4.01Å; F64-I197 HydrophobicContact CD1-CG1 4.29Å; F64-I197 HydrophobicContact CE1-CD1 3.58Å; F64-I197 HydrophobicContact CE1-CG1 4.2Å; F64-I197 HydrophobicContact CZ-CD1 4.36Å; M68-I197 HydrophobicContact CB-CG2 4.11Å; M68-I197 HydrophobicContact CE-CG2 4.11Å; F87-I197 HydrophobicContact CD2-CG2 4.19Å; F87-I197 HydrophobicContact CE2-CB 4.25Å; F87-I197 HydrophobicContact CE2-CG2 3.74Å; R174-I197 HydrophobicContact CB-CD1 4.49Å; R174-I197 HydrophobicContact CB-CG1 3.73Å; R174-I197 WeakPolarHBondContact CB-O 3.19Å; R174-I197 HydrophobicContact CG-CD1 4.26Å; R174-I197 HydrophobicContact CG-CG1 3.96Å; R174-I197 PolarHBondContact N-O 2.82Å; R174-I197 PolarHBondContact O-N 2.83Å; F195-I197 HydrophobicContact CD2-CG2 4.13Å; F195-I197 HydrophobicContact CE2-CG2 4.41Å
198	I	98.7	Very high	85.8	Confident	2 Å²	2	38 Å²	38	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.8	178.3	64.1	-178.8	0	0	0	109.6	F64 S65 L155 D159 L171 Y172 I173 V196	F64-I198 WeakPolarHBondContact CA-O 3.47Å; S65-I198 PolarHBondContact N-O 3.1Å; S65-I198 WeakPolarHBondContact OG-CD1 3.35Å; S65-I198 WeakPolarHBondContact OG-CG1 3.26Å; L155-I198 HydrophobicContact CD1-CD1 4.34Å; L155-I198 HydrophobicContact CD2-CD1 4.4Å; L155-I198 HydrophobicContact CD2-CG2 3.94Å; L155-I198 HydrophobicContact CG-CD1 3.92Å; L155-I198 HydrophobicContact CG-CG2 4.47Å; D159-I198 HydrophobicContact CB-CD1 3.54Å; L171-I198 HydrophobicContact CD1-CB 4.24Å; L171-I198 HydrophobicContact CD1-CG1 4.43Å; L171-I198 HydrophobicContact CD2-CB 4.02Å; L171-I198 HydrophobicContact CD2-CD1 3.84Å; L171-I198 HydrophobicContact CD2-CG1 4.25Å; L171-I198 HydrophobicContact CG-CB 4.13Å; Y172-I198 VanDerWaalsContact O-CA 3.25Å; Y172-I198 WeakPolarHBondContact O-CA 3.47Å; I173-I198 HydrophobicContact CB-CG2 4.16Å; I173-I198 HydrophobicContact CG1-CG2 3.98Å; I173-I198 HydrophobicContact CG2-CG2 3.9Å; V196-I198 HydrophobicContact CG1-CG2 4.31Å
199	G	97.6	Very high	84.1	Confident	6 Å²	6	34.2 Å²	34.2	6%	0.062	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	144	-177.8	0	0	0	0	0	112.5	Q63 Y172	Q63-G199 VanDerWaalsContact O-CA 3.3Å; Q63-G199 WeakPolarHBondContact O-CA 3.26Å; Y172-G199 PolarHBondContact N-O 3.47Å; Y172-G199 PolarHBondContact O-N 3.09Å
200	P	97.3	Very high	83.3	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.9	-179.4	30.2	-34.2	0	0	0	109.8	P53 L58 Q63 W162 P164	P53-P200 HydrophobicContact CG-CB 4.47Å; P53-P200 HydrophobicContact CG-CG 3.58Å; L58-P200 HydrophobicContact CD1-CB 3.87Å; L58-P200 HydrophobicContact CD2-CB 3.79Å; L58-P200 HydrophobicContact CD2-CG 3.76Å; L58-P200 HydrophobicContact CG-CB 4.5Å; Q63-P200 HydrophobicContact CB-CG 4.35Å; W162-P200 HydrophobicContact CE3-CG 3.94Å; W162-P200 HydrophobicContact CZ3-CG 4.24Å; P164-P200 HydrophobicContact CG-CB 3.87Å
201	V	94.8	Very high	82.6	Confident	3 Å²	3	38 Å²	38	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134	176.9	-60.1	0	0	0	0	110	F60 A169 S170	F60-V201 HydrophobicContact CD2-CB 4.16Å; F60-V201 HydrophobicContact CD2-CG1 3.75Å; F60-V201 HydrophobicContact CE2-CG1 4.27Å; F60-V201 HydrophobicContact CG-CG1 4.46Å; A169-V201 WeakPolarHBondContact CA-O 3.1Å; A169-V201 WeakPolarHBondContact CB-O 3.46Å; S170-V201 PolarHBondContact N-O 2.99Å; S170-V201 WeakPolarHBondContact O-CG2 3.37Å; S170-V201 PolarHBondContact O-N 3.19Å; S170-V201 WeakPolarHBondContact OG-CG2 3.3Å
202	G	88.8	Confident	82.3	Confident	10 Å²	10	35.9 Å²	35.9	10%	0.103	23%	0.229	C	C	.	.			trans	-79.4	-171.8	175.9	0	0	0	0	0	112.4
203	P	80.7	Confident	82.1	Confident	53 Å²	53	36.3 Å²	36.3	34%	0.344	23%	0.231	S	C	.	.			trans	-62.1	143.2	171.6	28.3	-34	0	0	0	109.6	D168 F205	D168-P203 WeakPolarHBondContact O-CD 3.27Å; P203-F205 PolarHBondContact O-N 2.88Å
204	Y	70.3	Confident	82	Confident	102 Å²	102	36.8 Å²	36.8	40%	0.4	24%	0.236	S	C	.	.	S	Bend	trans	-63.9	-26.8	177.1	-167.3	-97	0	0	0	111.9	A345 C346	Y204-A345 HydrophobicContact CD2-CB 4.09Å; Y204-A345 HydrophobicContact CE2-CB 4.29Å; Y204-C346 HydrophobicContact CD1-CB 3.86Å; Y204-C346 HydrophobicContact CD2-CB 4.36Å; Y204-C346 HydrophobicContact CG-CB 3.76Å
205	F	61.8	Low	82	Confident	33 Å²	33	37 Å²	37	15%	0.145	24%	0.237	C	C	.	.	S	Bend	trans	-108.8	114.6	174	-54.2	-69	0	0	0	109.4	P203 T207 G208 S209 N211 C349	P203-F205 PolarHBondContact O-N 2.88Å; F205-T207 PolarHBondContact O-N 3.05Å; F205-G208 PolarHBondContact O-N 3.38Å; F205-G208 VanDerWaalsContact O-N 3.07Å; F205-S209 WeakPolarHBondContact CB-O 3.47Å; F205-N211 HydrophobicContact CD1-CB 3.83Å; F205-N211 HydrophobicContact CE1-CB 4.24Å; F205-N211 VanDerWaalsContact CE1-O 3.26Å; F205-N211 WeakPolarHBondContact CE1-O 3.41Å; F205-N211 HydrophobicContact CG-CB 4.36Å; F205-C349 HydrophobicContact CZ-CB 4.23Å
206	A	47.3	Very low	82	Confident	103 Å²	103	36 Å²	36	85%	0.851	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.7	-171.8	0	0	0	0	0	115
207	T	43.8	Very low	82	Confident	102 Å²	102	36.2 Å²	36.2	63%	0.626	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	4.3	-177.1	48.3	0	0	0	0	113.9	F205 S209 N211	F205-T207 PolarHBondContact O-N 3.05Å; T207-S209 PolarHBondContact O-N 3.41Å; T207-S209 PolarHBondContact OG1-OG 2.86Å; T207-N211 PolarHBondContact OG1-ND2 2.85Å
208	G	47.2	Very low	81.9	Confident	69 Å²	69	37.4 Å²	37.4	71%	0.711	24%	0.241	S	C	*	.	S	Bend	trans	66.1	-2.4	-174.1	0	0	0	0	0	114.4	F205	F205-G208 PolarHBondContact O-N 3.38Å; F205-G208 VanDerWaalsContact O-N 3.07Å
209	S	56.8	Low	81.9	Confident	48 Å²	48	39.9 Å²	39.9	34%	0.336	26%	0.257	S	S	.	.	S	Bend	trans	-82.4	141.8	175.7	54.4	0	0	0	0	110.8	F205 T207 N211	F205-S209 WeakPolarHBondContact CB-O 3.47Å; T207-S209 PolarHBondContact O-N 3.41Å; T207-S209 PolarHBondContact OG1-OG 2.86Å; S209-N211 WeakPolarHBondContact CB-OD1 3.28Å; S209-N211 PolarHBondContact O-N 3.29Å; S209-N211 VanDerWaalsContact OG-CG 3.24Å; S209-N211 PolarHBondContact OG-ND2 3.15Å; S209-N211 PolarHBondContact OG-OD1 3.37Å
210	F	75.6	Confident	81.9	Confident	32 Å²	32	43.1 Å²	43.1	14%	0.14	28%	0.283	C	S	.	.			trans	-64.8	71.5	171.8	-118.8	-107.8	0	0	0	109.4	P212 V348 P350 M366 P370 A373 K374 Y377	F210-P212 WeakPolarHBondContact O-CD 3.32Å; F210-V348 HydrophobicContact CE1-CG1 4.07Å; F210-V348 HydrophobicContact CZ-CB 4.11Å; F210-V348 HydrophobicContact CZ-CG1 4.11Å; F210-P350 HydrophobicContact CB-CG 4.31Å; F210-P350 HydrophobicContact CD1-CB 4Å; F210-P350 HydrophobicContact CD1-CG 3.49Å; F210-P350 VanDerWaalsContact CD1-CG 3.49Å; F210-P350 HydrophobicContact CE1-CB 4.47Å; F210-P350 HydrophobicContact CE1-CG 4.18Å; F210-P350 HydrophobicContact CG-CG 4.23Å; F210-M366 HydrophobicContact CB-CE 4.33Å; F210-M366 VanDerWaalsContact O-CE 3.22Å; F210-M366 WeakPolarHBondContact O-CE 3.27Å; F210-P370 HydrophobicContact CD1-CG 4.16Å; F210-A373 HydrophobicContact CE1-CB 3.67Å; F210-A373 HydrophobicContact CZ-CB 4.29Å; F210-K374 HydrophobicContact CE2-CG 4.47Å; F210-Y377 HydrophobicContact CE2-CD1 4.19Å; F210-Y377 AromaticContact CE2-CD2 3.99Å; F210-Y377 HydrophobicContact CE2-CD2 3.99Å; F210-Y377 AromaticContact CE2-CG 3.72Å; F210-Y377 HydrophobicContact CE2-CG 3.72Å; F210-Y377 HydrophobicContact CZ-CD2 4.35Å; F210-Y377 HydrophobicContact CZ-CG 4.15Å
211	N	82.4	Confident	81.9	Confident	64 Å²	64	46.4 Å²	46.4	34%	0.342	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-77.6	120.5	-174.3	-72	-18.6	0	0	0	109.6	F205 T207 S209	F205-N211 HydrophobicContact CD1-CB 3.83Å; F205-N211 HydrophobicContact CE1-CB 4.24Å; F205-N211 VanDerWaalsContact CE1-O 3.26Å; F205-N211 WeakPolarHBondContact CE1-O 3.41Å; F205-N211 HydrophobicContact CG-CB 4.36Å; T207-N211 PolarHBondContact OG1-ND2 2.85Å; S209-N211 WeakPolarHBondContact CB-OD1 3.28Å; S209-N211 PolarHBondContact O-N 3.29Å; S209-N211 VanDerWaalsContact OG-CG 3.24Å; S209-N211 PolarHBondContact OG-ND2 3.15Å; S209-N211 PolarHBondContact OG-OD1 3.37Å
212	P	92	Very high	82.1	Confident	56 Å²	56	49.6 Å²	49.6	36%	0.364	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-67.4	143.3	178.4	28.9	-35.2	0	0	0	111.5	F210 P350 M366	F210-P212 WeakPolarHBondContact O-CD 3.32Å; P212-P350 WeakPolarHBondContact CA-O 3.14Å; P212-M366 HydrophobicContact CB-CG 3.93Å; P212-M366 HydrophobicContact CB-SD 4.39Å; P212-M366 HydrophobicContact CG-CG 3.76Å; P212-M366 HydrophobicContact CG-SD 4.49Å
213	V	94.4	Very high	82.6	Confident	10 Å²	10	50.3 Å²	50.3	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	148.5	167.8	-63.4	0	0	0	0	111.3	L215 Q254 P350 V351 G352	V213-L215 HydrophobicContact CB-CD2 4.45Å; V213-L215 HydrophobicContact CG2-CD2 3.67Å; V213-Q254 HydrophobicContact CB-CB 4.29Å; V213-Q254 HydrophobicContact CG1-CB 4.24Å; V213-P350 WeakPolarHBondContact CG2-O 3.42Å; V213-P350 PolarHBondContact N-O 3.44Å; V213-V351 HydrophobicContact CG2-CG2 4.22Å; V213-G352 PolarHBondContact O-N 2.9Å
214	S	97.3	Very high	83.4	Confident	29 Å²	29	48.1 Å²	48.1	20%	0.203	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.8	166	-61	0	0	0	0	109.8	C253 Q254 Q255 S353	S214-C253 CarbonylContact O-C 3.55Å; S214-Q254 PolarHBondContact O-N 3.22Å; S214-Q255 PolarHBondContact O-N 2.68Å; S214-S353 WeakPolarHBondContact CA-O 3.11Å; S214-S353 VanDerWaalsContact CB-OG 3.28Å; S214-S353 WeakPolarHBondContact CB-OG 3.42Å; S214-S353 PolarHBondContact OG-OG 3.46Å
215	L	98.4	Very high	84.8	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.1	-174.2	-54	-172.4	0	0	0	111.8	V213 C253 Q255 L257 V269 V351 S353 L354 L355	V213-L215 HydrophobicContact CB-CD2 4.45Å; V213-L215 HydrophobicContact CG2-CD2 3.67Å; L215-C253 VanDerWaalsContact C-SG 3.59Å; L215-Q255 CarbonylContact C-O 3.58Å; L215-Q255 VanDerWaalsContact CA-O 3.32Å; L215-Q255 WeakPolarHBondContact CA-O 3.45Å; L215-Q255 HydrophobicContact CD2-CB 3.59Å; L215-L257 HydrophobicContact CB-CB 4.13Å; L215-L257 HydrophobicContact CD1-CB 4.06Å; L215-L257 HydrophobicContact CD1-CD1 4.09Å; L215-V269 HydrophobicContact CD1-CG1 3.95Å; L215-V269 HydrophobicContact CD1-CG2 3.81Å; L215-V269 HydrophobicContact CD2-CG1 3.44Å; L215-V269 VanDerWaalsContact CD2-CG1 3.44Å; L215-V269 HydrophobicContact CG-CG1 4.36Å; L215-V351 HydrophobicContact CD1-CB 4.43Å; L215-V351 HydrophobicContact CD1-CG1 3.67Å; L215-V351 HydrophobicContact CD1-CG2 3.83Å; L215-V351 HydrophobicContact CG-CG1 3.81Å; L215-V351 HydrophobicContact CG-CG2 4.34Å; L215-S353 PolarHBondContact N-O 2.8Å; L215-L354 HydrophobicContact CB-CD1 3.66Å; L215-L354 CarbonylContact O-C 3.51Å; L215-L354 WeakPolarHBondContact O-CA 3.24Å; L215-L355 PolarHBondContact O-N 2.91Å
216	L	98.7	Very high	86.5	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.4	163.7	174.9	63.9	0	0	0	109.1	D218 E247 A248 C253 Q255 V256 L257 L355	L216-D218 HydrophobicContact CD1-CB 4.39Å; L216-D218 HydrophobicContact CG-CB 4.35Å; L216-E247 HydrophobicContact CD2-CG 4.35Å; L216-A248 HydrophobicContact CB-CB 3.73Å; L216-A248 HydrophobicContact CD2-CB 3.9Å; L216-A248 HydrophobicContact CG-CB 4.46Å; L216-C253 HydrophobicContact CB-CB 4Å; L216-Q255 PolarHBondContact N-O 3.48Å; L216-V256 CarbonylContact O-C 3.56Å; L216-V256 WeakPolarHBondContact O-CA 3.35Å; L216-L257 PolarHBondContact O-N 3.2Å; L216-L355 HydrophobicContact CD1-CD2 4.19Å; L216-L355 HydrophobicContact CD1-CG 4.35Å
217	A	98.6	Very high	88.8	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	102	168.9	0	0	0	0	0	109.7	L257 L259 L354 L355 Y356	A217-L257 HydrophobicContact CB-CB 4.12Å; A217-L257 HydrophobicContact CB-CD2 4.15Å; A217-L259 HydrophobicContact CB-CD1 4.07Å; A217-L259 HydrophobicContact CB-CG 4.47Å; A217-L354 HydrophobicContact CB-CD1 3.55Å; A217-L354 HydrophobicContact CB-CD2 4.5Å; A217-L354 HydrophobicContact CB-CG 4.18Å; A217-L355 PolarHBondContact N-O 2.73Å; A217-Y356 HydrophobicContact CB-CD2 3.92Å; A217-Y356 HydrophobicContact CB-CG 4.47Å; A217-Y356 WeakPolarHBondContact O-CD2 3.47Å
218	D	98.3	Very high	91.4	Very high	51 Å²	51	46.8 Å²	46.8	27%	0.273	29%	0.291	S	S	.	.			trans	-125.8	112.1	176.7	-173.8	-10.3	0	0	0	109.6	L216 A220 F221	L216-D218 HydrophobicContact CD1-CB 4.39Å; L216-D218 HydrophobicContact CG-CB 4.35Å; D218-A220 PolarHBondContact O-N 2.73Å; D218-A220 VanDerWaalsContact O-N 3.15Å; D218-A220 WeakPolarHBondContact OD1-CB 3.09Å; D218-A220 PolarHBondContact OD1-N 3.04Å; D218-F221 HydrophobicContact CB-CD2 3.94Å; D218-F221 HydrophobicContact CB-CE2 4.16Å; D218-F221 PolarHBondContact O-N 2.99Å; D218-F221 VanDerWaalsContact OD2-CE2 3.31Å; D218-F221 WeakPolarHBondContact OD2-CE2 3.46Å
219	P	97.8	Very high	93.9	Very high	53 Å²	53	45.5 Å²	45.5	34%	0.344	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.2	-178.9	30.8	-36.2	0	0	0	113.3	F221 L259 E264	P219-F221 PolarHBondContact O-N 2.98Å; P219-L259 HydrophobicContact CB-CD1 4.2Å; P219-E264 HydrophobicContact CB-CG 4.09Å
220	A	97.7	Very high	95.9	Very high	74 Å²	74	43.2 Å²	43.2	61%	0.612	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.7	172.6	0	0	0	0	0	113	D218	D218-A220 PolarHBondContact O-N 2.73Å; D218-A220 VanDerWaalsContact O-N 3.15Å; D218-A220 WeakPolarHBondContact OD1-CB 3.09Å; D218-A220 PolarHBondContact OD1-N 3.04Å
221	F	98	Very high	97	Very high	71 Å²	71	44 Å²	44	31%	0.311	26%	0.257	S	S	.	.			trans	-116.7	131.9	-177.4	-50.8	-70.5	0	0	0	112	D218 P219 V244 W258	D218-F221 HydrophobicContact CB-CD2 3.94Å; D218-F221 HydrophobicContact CB-CE2 4.16Å; D218-F221 PolarHBondContact O-N 2.99Å; D218-F221 VanDerWaalsContact OD2-CE2 3.31Å; D218-F221 WeakPolarHBondContact OD2-CE2 3.46Å; P219-F221 PolarHBondContact O-N 2.98Å; F221-V244 HydrophobicContact CB-CG1 4.06Å; F221-V244 HydrophobicContact CB-CG2 4.02Å; F221-V244 HydrophobicContact CD1-CG2 3.7Å; F221-V244 HydrophobicContact CD2-CG1 3.65Å; F221-V244 HydrophobicContact CD2-CG2 4.32Å; F221-V244 HydrophobicContact CE1-CG2 4.24Å; F221-V244 HydrophobicContact CE2-CG1 4.21Å; F221-V244 HydrophobicContact CG-CB 4.45Å; F221-V244 HydrophobicContact CG-CG1 3.82Å; F221-V244 HydrophobicContact CG-CG2 3.73Å; F221-W258 HydrophobicContact CB-CZ3 4.16Å
222	V	98.4	Very high	97.7	Very high	70 Å²	70	43.1 Å²	43.1	42%	0.424	25%	0.249	S	C	.	.			trans	-117.9	125	178.7	175.6	0	0	0	0	109.4	A224 Y260	V222-A224 WeakPolarHBondContact CG1-O 3.33Å; V222-Y260 HydrophobicContact CG1-CD2 3.92Å; V222-Y260 HydrophobicContact CG1-CE2 4.31Å
223	R	98.6	Very high	98.1	Very high	25 Å²	25	41.5 Å²	41.5	9%	0.094	24%	0.236	C	C	.	.	S	Bend	trans	-72.5	-42.8	177.4	-161.9	-159.8	67.9	78.2	-10.9	112.7	G230 T241 W258 E268 I295	R223-G230 PolarHBondContact NH2-O 2.99Å; R223-T241 HydrophobicContact CG-CG2 4.48Å; R223-W258 HydrophobicContact CB-CB 4.09Å; R223-W258 HydrophobicContact CB-CD2 3.53Å; R223-W258 HydrophobicContact CB-CE3 3.72Å; R223-W258 HydrophobicContact CB-CG 3.7Å; R223-W258 HydrophobicContact CB-CZ3 4.33Å; R223-W258 HydrophobicContact CG-CD2 3.88Å; R223-W258 HydrophobicContact CG-CE3 4.38Å; R223-W258 HydrophobicContact CG-CG 4.09Å; R223-W258 HydrophobicContact CG-CZ2 4.26Å; R223-E268 WeakPolarHBondContact CD-OE2 3.21Å; R223-E268 IonicContact CZ-OE2 2.69Å; R223-E268 VanDerWaalsContact CZ-OE2 3.24Å; R223-E268 IonicContact NE-OE2 3.05Å; R223-E268 PolarHBondContact NE-OE2 3.36Å; R223-E268 IonicContact NH2-OE2 2.66Å; R223-E268 PolarHBondContact NH2-OE2 2.8Å; R223-I295 PolarHBondContact NH2-O 3.1Å
224	A	98.6	Very high	98.3	Very high	7 Å²	7	42.2 Å²	42.2	6%	0.058	24%	0.239	C	C	.	.			trans	-156.4	157.8	-173.7	0	0	0	0	0	110.3	V222 Y260 I295	V222-A224 WeakPolarHBondContact CG1-O 3.33Å; A224-Y260 VanDerWaalsContact O-CD2 3.3Å; A224-Y260 WeakPolarHBondContact O-CD2 3.45Å; A224-Y260 WeakPolarHBondContact O-CE2 3.23Å; A224-I295 HydrophobicContact CB-CB 4.2Å
225	W	98.5	Very high	98.3	Very high	151 Å²	151	41.3 Å²	41.3	57%	0.572	24%	0.235	S	C	*	.			trans	-137	161.8	-178.2	56.8	91.1	0	0	0	111.6	G227 G228 Y260	W225-G227 PolarHBondContact O-N 3.38Å; W225-G228 WeakPolarHBondContact O-CA 3.32Å; W225-G228 PolarHBondContact O-N 3.41Å; W225-Y260 HydrophobicContact CB-CE2 3.9Å
226	K	97.8	Very high	98.3	Very high	80 Å²	80	43 Å²	43	35%	0.348	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	134.1	177.3	-63.5	-64.1	-178	-168.3	0	111.1	G228 Y260 D293 I295	K226-G228 PolarHBondContact O-N 3.05Å; K226-Y260 HydrophobicContact CG-CE1 4.43Å; K226-Y260 WeakPolarHBondContact CG-OH 3.49Å; K226-Y260 PolarHBondContact N-OH 3.31Å; K226-D293 WeakPolarHBondContact CD-O 3.35Å; K226-D293 PolarHBondContact NZ-O 2.8Å; K226-D293 IonicContact NZ-OD1 3.01Å; K226-D293 PolarHBondContact NZ-OD1 2.86Å; K226-D293 IonicContact NZ-OD2 2.87Å; K226-D293 PolarHBondContact NZ-OD2 3.19Å; K226-I295 HydrophobicContact CD-CG2 4.08Å; K226-I295 HydrophobicContact CG-CG2 4.48Å
227	G	97.1	Very high	98.3	Very high	70 Å²	70	43.5 Å²	43.5	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-5.6	-173.5	0	0	0	0	0	114.5	R137 W225	R137-G227 PolarHBondContact NH2-O 3.15Å; W225-G227 PolarHBondContact O-N 3.38Å
228	G	98.3	Very high	98.3	Very high	12 Å²	12	45.5 Å²	45.5	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	-74.8	-149.5	173.5	0	0	0	0	0	113	R137 W225 K226	R137-G228 PolarHBondContact NH2-O 3.31Å; W225-G228 WeakPolarHBondContact O-CA 3.32Å; W225-G228 PolarHBondContact O-N 3.41Å; K226-G228 PolarHBondContact O-N 3.05Å
229	V	98.4	Very high	98.3	Very high	41 Å²	41	45.6 Å²	45.6	25%	0.248	28%	0.275	C	S	.	.	S	Bend	trans	-126.6	18.1	-177.8	-71.8	0	0	0	0	113.4	R137 E231 Y232 M234 N237	R137-V229 HydrophobicContact CG-CG1 3.99Å; V229-E231 PolarHBondContact O-N 3.13Å; V229-Y232 HydrophobicContact CB-CD2 4.21Å; V229-Y232 HydrophobicContact CG1-CD2 4.37Å; V229-Y232 PolarHBondContact O-N 3.37Å; V229-M234 HydrophobicContact CB-SD 4.02Å; V229-M234 HydrophobicContact CG1-SD 3.97Å; V229-M234 HydrophobicContact CG2-SD 4.49Å; V229-N237 WeakPolarHBondContact CG2-OD1 3.38Å; V229-N237 PolarHBondContact O-ND2 3Å
230	G	98.5	Very high	98.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.3	-174.2	0	0	0	0	0	115.2	R223 Y232	R223-G230 PolarHBondContact NH2-O 2.99Å; G230-Y232 VanDerWaalsContact C-N 3.29Å
231	E	98.4	Very high	98.4	Very high	50 Å²	50	45.3 Å²	45.3	23%	0.234	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.5	177.1	69	177.8	128	0	0	114.6	R133 V229 G294 I296 P298	R133-E231 IonicContact NH1-OE2 3.6Å; V229-E231 PolarHBondContact O-N 3.13Å; E231-G294 PolarHBondContact N-O 2.68Å; E231-I296 WeakPolarHBondContact CA-O 3.49Å; E231-I296 WeakPolarHBondContact CB-O 3.49Å; E231-P298 WeakPolarHBondContact O-CD 3.42Å
232	Y	98.8	Very high	98.4	Very high	44 Å²	44	47.1 Å²	47.1	17%	0.173	28%	0.278	C	S	.	.	S	Bend	trans	-109.4	150.2	179.2	-55.1	-82.9	0	0	0	110.6	R133 R137 V229 G230 M234 N237	R133-Y232 HydrophobicContact CB-CD1 4.44Å; R133-Y232 HydrophobicContact CB-CE1 4.25Å; R133-Y232 WeakPolarHBondContact O-CE1 3.44Å; R137-Y232 HydrophobicContact CB-CD1 3.84Å; R137-Y232 HydrophobicContact CB-CD2 4.22Å; R137-Y232 HydrophobicContact CB-CE1 3.75Å; R137-Y232 HydrophobicContact CB-CE2 4.15Å; R137-Y232 HydrophobicContact CB-CG 4.06Å; R137-Y232 HydrophobicContact CG-CD1 4.29Å; R137-Y232 HydrophobicContact CG-CD2 3.74Å; R137-Y232 HydrophobicContact CG-CE1 4.23Å; R137-Y232 HydrophobicContact CG-CE2 3.68Å; R137-Y232 HydrophobicContact CG-CG 4.04Å; V229-Y232 HydrophobicContact CB-CD2 4.21Å; V229-Y232 HydrophobicContact CG1-CD2 4.37Å; V229-Y232 PolarHBondContact O-N 3.37Å; G230-Y232 VanDerWaalsContact C-N 3.29Å; Y232-M234 PolarHBondContact O-N 3.12Å; Y232-N237 PolarHBondContact O-ND2 2.7Å
233	K	98.7	Very high	98.4	Very high	22 Å²	22	47.2 Å²	47.2	10%	0.096	29%	0.287	C	S	.	.			trans	-90.6	50.2	-176.7	-153.7	165	179	62.8	0	112.2	L105 F106 S134 Y238 L297	L105-K233 WeakPolarHBondContact CA-O 3.36Å; F106-K233 HydrophobicContact CD2-CD 4.37Å; F106-K233 HydrophobicContact CD2-CG 4.34Å; F106-K233 HydrophobicContact CE1-CG 4.3Å; F106-K233 HydrophobicContact CE2-CD 4.24Å; F106-K233 HydrophobicContact CE2-CG 4.14Å; F106-K233 HydrophobicContact CZ-CG 4.12Å; F106-K233 PolarHBondContact N-O 3.33Å; F106-K233 VanDerWaalsContact O-CB 3.32Å; F106-K233 WeakPolarHBondContact O-CB 3.17Å; F106-K233 VanDerWaalsContact O-CD 3.27Å; F106-K233 WeakPolarHBondContact O-CD 3.4Å; F106-K233 WeakPolarHBondContact O-CG 3.43Å; S134-K233 PolarHBondContact OG-N 3.2Å; S134-K233 VanDerWaalsContact OG-N 3.1Å; K233-Y238 WeakPolarHBondContact CG-OH 3.46Å; K233-Y238 PolarHBondContact NZ-OH 3.4Å; K233-L297 HydrophobicContact CB-CD1 4.2Å; K233-L297 HydrophobicContact CD-CD2 4.33Å; K233-L297 HydrophobicContact CG-CD2 4.42Å
234	M	98.8	Very high	98.4	Very high	25 Å²	25	46.5 Å²	46.5	12%	0.123	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-85.4	144.6	-179.7	-63.1	178	70.1	0	0	111.6	E104 L105 R137 V229 Y232 G236 N237 Y238	E104-M234 WeakPolarHBondContact O-CA 3.3Å; L105-M234 HydrophobicContact CB-CG 4.43Å; R137-M234 HydrophobicContact CG-SD 4.02Å; V229-M234 HydrophobicContact CB-SD 4.02Å; V229-M234 HydrophobicContact CG1-SD 3.97Å; V229-M234 HydrophobicContact CG2-SD 4.49Å; Y232-M234 PolarHBondContact O-N 3.12Å; M234-G236 VanDerWaalsContact C-N 3.3Å; M234-G236 PolarHBondContact O-N 2.91Å; M234-N237 WeakPolarHBondContact O-CB 3.27Å; M234-N237 PolarHBondContact O-N 2.79Å; M234-Y238 VanDerWaalsContact O-CD2 3.23Å; M234-Y238 WeakPolarHBondContact O-CD2 3.3Å; M234-Y238 VanDerWaalsContact O-CE2 3.28Å; M234-Y238 WeakPolarHBondContact O-CE2 3.45Å
235	G	98.5	Very high	98.3	Very high	11 Å²	11	48.1 Å²	48.1	11%	0.113	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-57.7	-39.7	-176.5	0	0	0	0	0	113.7	E104 N237 Y238	E104-G235 PolarHBondContact O-N 2.79Å; G235-N237 PolarHBondContact O-N 2.89Å; G235-Y238 PolarHBondContact O-N 3.31Å
236	G	98.4	Very high	98.3	Very high	37 Å²	37	44 Å²	44	38%	0.381	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-58.7	-20	-179.6	0	0	0	0	0	115.4	S102 M234 Y238 P240	S102-G236 WeakPolarHBondContact OG-CA 3.49Å; S102-G236 PolarHBondContact OG-N 3.32Å; M234-G236 VanDerWaalsContact C-N 3.3Å; M234-G236 PolarHBondContact O-N 2.91Å; G236-Y238 PolarHBondContact O-N 3.43Å; G236-P240 VanDerWaalsContact O-CD 3.25Å; G236-P240 WeakPolarHBondContact O-CD 3.49Å
237	N	98.7	Very high	98.3	Very high	16 Å²	16	43 Å²	43	9%	0.086	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-72.1	-16.4	174.2	-73.3	-36.7	0	0	0	113.8	V229 Y232 M234 G235 T241	V229-N237 WeakPolarHBondContact CG2-OD1 3.38Å; V229-N237 PolarHBondContact O-ND2 3Å; Y232-N237 PolarHBondContact O-ND2 2.7Å; M234-N237 WeakPolarHBondContact O-CB 3.27Å; M234-N237 PolarHBondContact O-N 2.79Å; G235-N237 PolarHBondContact O-N 2.89Å; N237-T241 WeakPolarHBondContact O-CG2 3.28Å
238	Y	98.6	Very high	98.3	Very high	46 Å²	46	39.7 Å²	39.7	18%	0.18	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-36.1	-169.1	-60.4	-94.6	0	0	0	112.6	F106 K233 M234 G235 G236 T241 T271	F106-Y238 AromaticContact CE1-CD2 3.64Å; F106-Y238 HydrophobicContact CE1-CD2 3.64Å; F106-Y238 AromaticContact CE1-CE2 3.42Å; F106-Y238 HydrophobicContact CE1-CE2 3.42Å; F106-Y238 VanDerWaalsContact CE1-CE2 3.42Å; F106-Y238 HydrophobicContact CE1-CG 4.36Å; F106-Y238 AromaticContact CE1-CZ 3.95Å; F106-Y238 HydrophobicContact CZ-CD1 4.34Å; F106-Y238 AromaticContact CZ-CD2 3.93Å; F106-Y238 HydrophobicContact CZ-CD2 3.93Å; F106-Y238 AromaticContact CZ-CE1 3.95Å; F106-Y238 HydrophobicContact CZ-CE1 3.95Å; F106-Y238 AromaticContact CZ-CE2 3.51Å; F106-Y238 HydrophobicContact CZ-CE2 3.51Å; F106-Y238 HydrophobicContact CZ-CG 4.33Å; F106-Y238 AromaticContact CZ-CZ 3.52Å; K233-Y238 WeakPolarHBondContact CG-OH 3.46Å; K233-Y238 PolarHBondContact NZ-OH 3.4Å; M234-Y238 VanDerWaalsContact O-CD2 3.23Å; M234-Y238 WeakPolarHBondContact O-CD2 3.3Å; M234-Y238 VanDerWaalsContact O-CE2 3.28Å; M234-Y238 WeakPolarHBondContact O-CE2 3.45Å; G235-Y238 PolarHBondContact O-N 3.31Å; G236-Y238 PolarHBondContact O-N 3.43Å; Y238-T241 WeakPolarHBondContact O-CB 3.43Å; Y238-T241 PolarHBondContact O-N 3.21Å; Y238-T241 PolarHBondContact O-OG1 2.94Å; Y238-T271 HydrophobicContact CD1-CG2 4.11Å; Y238-T271 HydrophobicContact CE1-CG2 4.01Å
239	G	98.3	Very high	98.2	Very high	52 Å²	52	44 Å²	44	54%	0.536	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-52.4	179.4	0	0	0	0	0	113.8	T241 I242	G239-T241 PolarHBondContact O-N 3.35Å; G239-T241 VanDerWaalsContact O-N 3.14Å; G239-I242 WeakPolarHBondContact O-CG1 3.46Å; G239-I242 PolarHBondContact O-N 3.06Å
240	P	98.2	Very high	98.2	Very high	98 Å²	98	49.5 Å²	49.5	64%	0.636	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21	179	-25.6	36.1	0	0	0	114.8	G236 I242	G236-P240 VanDerWaalsContact O-CD 3.25Å; G236-P240 WeakPolarHBondContact O-CD 3.49Å; P240-I242 VanDerWaalsContact C-N 3.3Å; P240-I242 PolarHBondContact O-N 3.35Å
241	T	98.4	Very high	98.1	Very high	23 Å²	23	53.3 Å²	53.3	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-74.1	-20.6	-177.3	72.8	0	0	0	0	113.5	R223 N237 Y238 G239 A243 V244 Q245 W258	R223-T241 HydrophobicContact CG-CG2 4.48Å; N237-T241 WeakPolarHBondContact O-CG2 3.28Å; Y238-T241 WeakPolarHBondContact O-CB 3.43Å; Y238-T241 PolarHBondContact O-N 3.21Å; Y238-T241 PolarHBondContact O-OG1 2.94Å; G239-T241 PolarHBondContact O-N 3.35Å; G239-T241 VanDerWaalsContact O-N 3.14Å; T241-A243 VanDerWaalsContact C-N 3.35Å; T241-A243 PolarHBondContact O-N 3.49Å; T241-V244 PolarHBondContact O-N 2.62Å; T241-Q245 WeakPolarHBondContact O-CB 3.43Å; T241-Q245 PolarHBondContact O-N 3.03Å; T241-W258 HydrophobicContact CG2-CH2 3.91Å; T241-W258 HydrophobicContact CG2-CZ2 3.71Å
242	I	98.1	Very high	98	Very high	109 Å²	109	53.3 Å²	53.3	56%	0.559	32%	0.317	S	S	*	.	H	α-helix	trans	-64.8	-39.2	-173.3	-59.2	-57.9	0	0	0	111.8	G239 P240 Q245 T246	G239-I242 WeakPolarHBondContact O-CG1 3.46Å; G239-I242 PolarHBondContact O-N 3.06Å; P240-I242 VanDerWaalsContact C-N 3.3Å; P240-I242 PolarHBondContact O-N 3.35Å; I242-Q245 PolarHBondContact O-N 2.9Å; I242-T246 WeakPolarHBondContact O-CB 3.2Å; I242-T246 PolarHBondContact O-N 2.73Å; I242-T246 PolarHBondContact O-OG1 3.48Å
243	A	98.1	Very high	97.9	Very high	72 Å²	72	51.4 Å²	51.4	60%	0.595	31%	0.31	S	S	*	.	H	α-helix	trans	-63.5	-43.5	176.6	0	0	0	0	0	111.3	T241 T246 E247	T241-A243 VanDerWaalsContact C-N 3.35Å; T241-A243 PolarHBondContact O-N 3.49Å; A243-T246 WeakPolarHBondContact O-CB 3.47Å; A243-T246 PolarHBondContact O-N 3.28Å; A243-E247 PolarHBondContact O-N 3Å
244	V	98.4	Very high	97.8	Very high	11 Å²	11	54.3 Å²	54.3	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-40.7	179.1	-169.4	0	0	0	0	111.2	F221 T241 T246 E247 A248 V256 W258	F221-V244 HydrophobicContact CB-CG1 4.06Å; F221-V244 HydrophobicContact CB-CG2 4.02Å; F221-V244 HydrophobicContact CD1-CG2 3.7Å; F221-V244 HydrophobicContact CD2-CG1 3.65Å; F221-V244 HydrophobicContact CD2-CG2 4.32Å; F221-V244 HydrophobicContact CE1-CG2 4.24Å; F221-V244 HydrophobicContact CE2-CG1 4.21Å; F221-V244 HydrophobicContact CG-CB 4.45Å; F221-V244 HydrophobicContact CG-CG1 3.82Å; F221-V244 HydrophobicContact CG-CG2 3.73Å; T241-V244 PolarHBondContact O-N 2.62Å; V244-T246 VanDerWaalsContact C-N 3.28Å; V244-T246 PolarHBondContact O-N 3.49Å; V244-E247 WeakPolarHBondContact O-CB 3.35Å; V244-E247 PolarHBondContact O-N 3.49Å; V244-E247 VanDerWaalsContact O-N 3.16Å; V244-A248 PolarHBondContact O-N 3.21Å; V244-V256 HydrophobicContact CG1-CG1 4.06Å; V244-V256 HydrophobicContact CG1-CG2 3.88Å; V244-W258 HydrophobicContact CB-CH2 3.96Å; V244-W258 HydrophobicContact CB-CZ3 4.37Å; V244-W258 HydrophobicContact CG1-CH2 4.04Å; V244-W258 HydrophobicContact CG1-CZ3 4.07Å; V244-W258 HydrophobicContact CG2-CH2 4.19Å; V244-W258 HydrophobicContact CG2-CZ3 4.37Å
245	Q	97.9	Very high	97.7	Very high	40 Å²	40	54.3 Å²	54.3	19%	0.187	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-35.4	174.6	-178.9	59.3	68.2	0	0	111.9	T241 I242 E247 A248 L249 Q254	T241-Q245 WeakPolarHBondContact O-CB 3.43Å; T241-Q245 PolarHBondContact O-N 3.03Å; I242-Q245 PolarHBondContact O-N 2.9Å; Q245-E247 VanDerWaalsContact C-N 3.33Å; Q245-A248 PolarHBondContact O-N 2.92Å; Q245-L249 WeakPolarHBondContact O-CG 3.36Å; Q245-L249 PolarHBondContact O-N 2.87Å; Q245-L249 VanDerWaalsContact O-N 3.1Å; Q245-Q254 PolarHBondContact NE2-O 2.96Å
246	T	97.4	Very high	97.7	Very high	65 Å²	65	54 Å²	54	40%	0.399	32%	0.319	S	S	.	.	H	α-helix	trans	-65.5	-39.4	173.8	-57.3	0	0	0	0	111	I242 A243 V244 L249 K250	I242-T246 WeakPolarHBondContact O-CB 3.2Å; I242-T246 PolarHBondContact O-N 2.73Å; I242-T246 PolarHBondContact O-OG1 3.48Å; A243-T246 WeakPolarHBondContact O-CB 3.47Å; A243-T246 PolarHBondContact O-N 3.28Å; V244-T246 VanDerWaalsContact C-N 3.28Å; V244-T246 PolarHBondContact O-N 3.49Å; T246-L249 PolarHBondContact O-N 2.7Å; T246-K250 WeakPolarHBondContact O-CG 3.12Å; T246-K250 PolarHBondContact O-N 2.82Å; T246-K250 VanDerWaalsContact O-N 3.1Å
247	E	97.5	Very high	97.7	Very high	59 Å²	59	52.5 Å²	52.5	28%	0.276	30%	0.303	S	S	.	.	H	α-helix	trans	-65.3	-43.8	174.8	-173.7	53.3	-145.6	0	0	112.2	L216 A243 V244 Q245 L249 K250 Q251	L216-E247 HydrophobicContact CD2-CG 4.35Å; A243-E247 PolarHBondContact O-N 3Å; V244-E247 WeakPolarHBondContact O-CB 3.35Å; V244-E247 PolarHBondContact O-N 3.49Å; V244-E247 VanDerWaalsContact O-N 3.16Å; Q245-E247 VanDerWaalsContact C-N 3.33Å; E247-L249 VanDerWaalsContact C-N 3.27Å; E247-L249 PolarHBondContact O-N 3.46Å; E247-K250 WeakPolarHBondContact O-CB 3.48Å; E247-K250 PolarHBondContact O-N 2.89Å; E247-K250 VanDerWaalsContact O-N 3.13Å; E247-K250 IonicContact OE2-NZ 3.84Å; E247-Q251 PolarHBondContact O-N 3.38Å; E247-Q251 VanDerWaalsContact O-N 3.07Å; E247-Q251 PolarHBondContact OE1-NE2 2.59Å
248	A	97.6	Very high	97.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-53.8	-46	173.1	0	0	0	0	0	111.6	L216 V244 Q245 K250 Q251 G252 C253 V256	L216-A248 HydrophobicContact CB-CB 3.73Å; L216-A248 HydrophobicContact CD2-CB 3.9Å; L216-A248 HydrophobicContact CG-CB 4.46Å; V244-A248 PolarHBondContact O-N 3.21Å; Q245-A248 PolarHBondContact O-N 2.92Å; A248-K250 PolarHBondContact O-N 3.42Å; A248-Q251 CarbonylContact O-C 3.6Å; A248-Q251 PolarHBondContact O-N 3.44Å; A248-Q251 VanDerWaalsContact O-N 3.15Å; A248-G252 PolarHBondContact O-N 3.45Å; A248-C253 CarbonylContact C-O 3.43Å; A248-C253 HydrophobicContact CB-CB 4.12Å; A248-C253 WeakPolarHBondContact O-CA 3.46Å; A248-C253 WeakPolarHBondContact O-CB 3.4Å; A248-C253 PolarHBondContact O-N 2.9Å; A248-C253 VanDerWaalsContact O-O 3.11Å; A248-V256 HydrophobicContact CB-CG2 3.97Å
249	L	96.3	Very high	97.7	Very high	104 Å²	104	50.2 Å²	50.2	55%	0.545	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-41.2	178.1	-70.9	170.3	0	0	0	112.6	Q245 T246 E247 Q251 G252 C253	Q245-L249 WeakPolarHBondContact O-CG 3.36Å; Q245-L249 PolarHBondContact O-N 2.87Å; Q245-L249 VanDerWaalsContact O-N 3.1Å; T246-L249 PolarHBondContact O-N 2.7Å; E247-L249 VanDerWaalsContact C-N 3.27Å; E247-L249 PolarHBondContact O-N 3.46Å; L249-Q251 PolarHBondContact O-N 3.44Å; L249-G252 PolarHBondContact O-N 2.99Å; L249-C253 WeakPolarHBondContact CA-O 3.48Å; L249-C253 PolarHBondContact N-O 3.33Å
250	K	97.6	Very high	97.7	Very high	155 Å²	155	50.1 Å²	50.1	67%	0.674	28%	0.277	S	S	*	.	H	α-helix	trans	-61	-32.7	175.4	-71.1	173.4	-174.7	169.9	0	112.3	T246 E247 A248 G252	T246-K250 WeakPolarHBondContact O-CG 3.12Å; T246-K250 PolarHBondContact O-N 2.82Å; T246-K250 VanDerWaalsContact O-N 3.1Å; E247-K250 WeakPolarHBondContact O-CB 3.48Å; E247-K250 PolarHBondContact O-N 2.89Å; E247-K250 VanDerWaalsContact O-N 3.13Å; E247-K250 IonicContact OE2-NZ 3.84Å; A248-K250 PolarHBondContact O-N 3.42Å; K250-G252 VanDerWaalsContact C-N 3.27Å; K250-G252 PolarHBondContact O-N 3.11Å
251	Q	97.5	Very high	97.7	Very high	81 Å²	81	47 Å²	47	38%	0.379	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	13	175.9	-60.3	-172.2	41.7	0	0	113.3	E247 A248 L249 C253 L355	E247-Q251 PolarHBondContact O-N 3.38Å; E247-Q251 VanDerWaalsContact O-N 3.07Å; E247-Q251 PolarHBondContact OE1-NE2 2.59Å; A248-Q251 CarbonylContact O-C 3.6Å; A248-Q251 PolarHBondContact O-N 3.44Å; A248-Q251 VanDerWaalsContact O-N 3.15Å; L249-Q251 PolarHBondContact O-N 3.44Å; Q251-C253 VanDerWaalsContact C-N 3.29Å; Q251-C253 PolarHBondContact O-N 2.9Å; Q251-L355 HydrophobicContact CB-CD2 3.76Å
252	G	96.2	Very high	97.6	Very high	49 Å²	49	51.9 Å²	51.9	51%	0.505	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	11.5	176.7	0	0	0	0	0	115.1	A248 L249 K250 Q254	A248-G252 PolarHBondContact O-N 3.45Å; L249-G252 PolarHBondContact O-N 2.99Å; K250-G252 VanDerWaalsContact C-N 3.27Å; K250-G252 PolarHBondContact O-N 3.11Å; G252-Q254 PolarHBondContact O-NE2 3.06Å
253	C	97.1	Very high	97.5	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.034	30%	0.298	C	S	.	.			trans	-96.6	140.5	177	-63.4	0	0	0	0	111.2	S214 L215 L216 A248 L249 Q251	S214-C253 CarbonylContact O-C 3.55Å; L215-C253 VanDerWaalsContact C-SG 3.59Å; L216-C253 HydrophobicContact CB-CB 4Å; A248-C253 CarbonylContact C-O 3.43Å; A248-C253 HydrophobicContact CB-CB 4.12Å; A248-C253 WeakPolarHBondContact O-CA 3.46Å; A248-C253 WeakPolarHBondContact O-CB 3.4Å; A248-C253 PolarHBondContact O-N 2.9Å; A248-C253 VanDerWaalsContact O-O 3.11Å; L249-C253 WeakPolarHBondContact CA-O 3.48Å; L249-C253 PolarHBondContact N-O 3.33Å; Q251-C253 VanDerWaalsContact C-N 3.29Å; Q251-C253 PolarHBondContact O-N 2.9Å
254	Q	95.6	Very high	97.5	Very high	82 Å²	82	50 Å²	50	38%	0.383	28%	0.275	S	S	.	.	S	Bend	trans	-87.5	-23.6	-178.4	-64.5	74.9	50.1	0	0	112.5	V213 S214 Q245 G252	V213-Q254 HydrophobicContact CB-CB 4.29Å; V213-Q254 HydrophobicContact CG1-CB 4.24Å; S214-Q254 PolarHBondContact O-N 3.22Å; Q245-Q254 PolarHBondContact NE2-O 2.96Å; G252-Q254 PolarHBondContact O-NE2 3.06Å
255	Q	96.8	Very high	97.5	Very high	25 Å²	25	50.8 Å²	50.8	12%	0.117	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	168.5	-178.3	-67.4	-66	-64.5	0	0	110.9	S214 L215 L216 V269 M272	S214-Q255 PolarHBondContact O-N 2.68Å; L215-Q255 CarbonylContact C-O 3.58Å; L215-Q255 VanDerWaalsContact CA-O 3.32Å; L215-Q255 WeakPolarHBondContact CA-O 3.45Å; L215-Q255 HydrophobicContact CD2-CB 3.59Å; L216-Q255 PolarHBondContact N-O 3.48Å; Q255-V269 HydrophobicContact CB-CG1 4.08Å; Q255-M272 HydrophobicContact CG-CE 4.43Å
256	V	98.4	Very high	97.6	Very high	4 Å²	4	49 Å²	49	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.9	175.3	-177.1	0	0	0	0	109.2	L216 V244 A248 W258 V269 G270	L216-V256 CarbonylContact O-C 3.56Å; L216-V256 WeakPolarHBondContact O-CA 3.35Å; V244-V256 HydrophobicContact CG1-CG1 4.06Å; V244-V256 HydrophobicContact CG1-CG2 3.88Å; A248-V256 HydrophobicContact CB-CG2 3.97Å; V256-W258 HydrophobicContact CB-CD2 4.39Å; V256-W258 HydrophobicContact CB-CH2 4.45Å; V256-W258 HydrophobicContact CB-CZ2 4.11Å; V256-W258 HydrophobicContact CG1-CD2 3.8Å; V256-W258 HydrophobicContact CG1-CE3 3.76Å; V256-W258 HydrophobicContact CG1-CG 4.47Å; V256-W258 HydrophobicContact CG1-CH2 4.08Å; V256-W258 HydrophobicContact CG1-CZ2 4.11Å; V256-W258 HydrophobicContact CG1-CZ3 3.91Å; V256-W258 HydrophobicContact CG2-CZ2 4.47Å; V256-V269 CarbonylContact O-C 3.51Å; V256-V269 WeakPolarHBondContact O-CA 3.43Å; V256-G270 PolarHBondContact O-N 3.04Å
257	L	98.8	Very high	97.6	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.5	162.1	-176.3	68.8	0	0	0	107.8	L215 L216 A217 L259 I266 V269 L274 M324 L354	L215-L257 HydrophobicContact CB-CB 4.13Å; L215-L257 HydrophobicContact CD1-CB 4.06Å; L215-L257 HydrophobicContact CD1-CD1 4.09Å; L216-L257 PolarHBondContact O-N 3.2Å; A217-L257 HydrophobicContact CB-CB 4.12Å; A217-L257 HydrophobicContact CB-CD2 4.15Å; L257-L259 HydrophobicContact CD2-CD2 4.16Å; L257-L259 HydrophobicContact CG-CD2 4.24Å; L257-L259 PolarHBondContact O-N 2.79Å; L257-I266 HydrophobicContact CD1-CG2 3.76Å; L257-I266 HydrophobicContact CD2-CG1 4.36Å; L257-I266 HydrophobicContact CD2-CG2 4.4Å; L257-I266 HydrophobicContact CG-CG2 4.35Å; L257-V269 HydrophobicContact CD1-CG2 3.73Å; L257-L274 HydrophobicContact CD1-CG 4.49Å; L257-M324 HydrophobicContact CD2-SD 3.97Å; L257-L354 HydrophobicContact CB-CD1 4.02Å; L257-L354 HydrophobicContact CD2-CD1 3.65Å; L257-L354 HydrophobicContact CD2-CD2 4.15Å; L257-L354 HydrophobicContact CG-CD1 4.47Å
258	W	98.8	Very high	97.7	Very high	10 Å²	10	43.8 Å²	43.8	4%	0.038	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.5	-178.9	-62.5	112.1	0	0	0	110.6	F221 R223 T241 V244 V256 T267 E268 G270	F221-W258 HydrophobicContact CB-CZ3 4.16Å; R223-W258 HydrophobicContact CB-CB 4.09Å; R223-W258 HydrophobicContact CB-CD2 3.53Å; R223-W258 HydrophobicContact CB-CE3 3.72Å; R223-W258 HydrophobicContact CB-CG 3.7Å; R223-W258 HydrophobicContact CB-CZ3 4.33Å; R223-W258 HydrophobicContact CG-CD2 3.88Å; R223-W258 HydrophobicContact CG-CE3 4.38Å; R223-W258 HydrophobicContact CG-CG 4.09Å; R223-W258 HydrophobicContact CG-CZ2 4.26Å; T241-W258 HydrophobicContact CG2-CH2 3.91Å; T241-W258 HydrophobicContact CG2-CZ2 3.71Å; V244-W258 HydrophobicContact CB-CH2 3.96Å; V244-W258 HydrophobicContact CB-CZ3 4.37Å; V244-W258 HydrophobicContact CG1-CH2 4.04Å; V244-W258 HydrophobicContact CG1-CZ3 4.07Å; V244-W258 HydrophobicContact CG2-CH2 4.19Å; V244-W258 HydrophobicContact CG2-CZ3 4.37Å; V256-W258 HydrophobicContact CB-CD2 4.39Å; V256-W258 HydrophobicContact CB-CH2 4.45Å; V256-W258 HydrophobicContact CB-CZ2 4.11Å; V256-W258 HydrophobicContact CG1-CD2 3.8Å; V256-W258 HydrophobicContact CG1-CE3 3.76Å; V256-W258 HydrophobicContact CG1-CG 4.47Å; V256-W258 HydrophobicContact CG1-CH2 4.08Å; V256-W258 HydrophobicContact CG1-CZ2 4.11Å; V256-W258 HydrophobicContact CG1-CZ3 3.91Å; V256-W258 HydrophobicContact CG2-CZ2 4.47Å; W258-T267 VanDerWaalsContact C-OG1 3.3Å; W258-T267 WeakPolarHBondContact CB-OG1 2.95Å; W258-T267 PolarHBondContact O-N 3.27Å; W258-T267 PolarHBondContact O-OG1 3.5Å; W258-E268 PolarHBondContact N-O 3.01Å; W258-G270 PolarHBondContact NE1-O 2.88Å
259	L	98.8	Very high	97.7	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	150.7	176.5	-56.9	-177.9	0	0	0	110.3	A217 P219 L257 E264 E265 I266 M324 Y356	A217-L259 HydrophobicContact CB-CD1 4.07Å; A217-L259 HydrophobicContact CB-CG 4.47Å; P219-L259 HydrophobicContact CB-CD1 4.2Å; L257-L259 HydrophobicContact CD2-CD2 4.16Å; L257-L259 HydrophobicContact CG-CD2 4.24Å; L257-L259 PolarHBondContact O-N 2.79Å; L259-E264 HydrophobicContact CD1-CB 4.29Å; L259-E265 CarbonylContact C-O 3.59Å; L259-E265 VanDerWaalsContact CA-O 3.32Å; L259-E265 WeakPolarHBondContact CA-O 3.25Å; L259-I266 HydrophobicContact CD2-CG1 4.16Å; L259-M324 HydrophobicContact CD1-CG 3.87Å; L259-M324 HydrophobicContact CD2-CG 3.58Å; L259-M324 HydrophobicContact CD2-SD 3.99Å; L259-M324 HydrophobicContact CG-CG 4.39Å; L259-Y356 HydrophobicContact CD1-CD2 4.42Å; L259-Y356 HydrophobicContact CD1-CE2 4.13Å
260	Y	98.6	Very high	97.6	Very high	49 Å²	49	39.2 Å²	39.2	19%	0.192	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.9	179.6	-178	-100.8	0	0	0	113	V222 A224 W225 K226 E265 I295	V222-Y260 HydrophobicContact CG1-CD2 3.92Å; V222-Y260 HydrophobicContact CG1-CE2 4.31Å; A224-Y260 VanDerWaalsContact O-CD2 3.3Å; A224-Y260 WeakPolarHBondContact O-CD2 3.45Å; A224-Y260 WeakPolarHBondContact O-CE2 3.23Å; W225-Y260 HydrophobicContact CB-CE2 3.9Å; K226-Y260 HydrophobicContact CG-CE1 4.43Å; K226-Y260 WeakPolarHBondContact CG-OH 3.49Å; K226-Y260 PolarHBondContact N-OH 3.31Å; Y260-E265 PolarHBondContact N-O 3.45Å; Y260-E265 WeakPolarHBondContact O-CB 3.38Å; Y260-E265 PolarHBondContact O-N 3.32Å; Y260-I295 HydrophobicContact CD1-CD1 3.57Å; Y260-I295 HydrophobicContact CD2-CD1 4.23Å; Y260-I295 HydrophobicContact CE1-CD1 4.12Å; Y260-I295 HydrophobicContact CG-CD1 3.63Å
261	G	97.9	Very high	97.5	Very high	33 Å²	33	36.2 Å²	36.2	34%	0.34	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	179.7	171.3	0	0	0	0	0	114.7	D263 E264	G261-D263 VanDerWaalsContact C-N 3.27Å; G261-D263 PolarHBondContact O-N 2.82Å; G261-E264 PolarHBondContact O-N 2.74Å; G261-E264 VanDerWaalsContact O-N 3.11Å
262	P	96.8	Very high	97.5	Very high	126 Å²	126	32.8 Å²	32.8	82%	0.818	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.1	-175.8	27.8	-35.3	0	0	0	113.3	E264	P262-E264 PolarHBondContact O-N 2.87Å
263	D	96.3	Very high	97.7	Very high	118 Å²	118	30.8 Å²	30.8	63%	0.631	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	0.2	176.6	-61.1	-44.9	0	0	0	112.7	G261 E265	G261-D263 VanDerWaalsContact C-N 3.27Å; G261-D263 PolarHBondContact O-N 2.82Å; D263-E265 VanDerWaalsContact C-N 3.31Å; D263-E265 HydrophobicContact CB-CG 4.29Å; D263-E265 PolarHBondContact O-N 3.47Å
264	E	98.2	Very high	97.7	Very high	24 Å²	24	30.6 Å²	30.6	11%	0.112	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	53.2	-177.7	-61.4	-177.4	-169.6	0	0	111.3	P219 L259 G261 P262 I266 M324 Y356 R357	P219-E264 HydrophobicContact CB-CG 4.09Å; L259-E264 HydrophobicContact CD1-CB 4.29Å; G261-E264 PolarHBondContact O-N 2.74Å; G261-E264 VanDerWaalsContact O-N 3.11Å; P262-E264 PolarHBondContact O-N 2.87Å; E264-I266 PolarHBondContact O-N 3.11Å; E264-M324 HydrophobicContact CB-CB 4.17Å; E264-M324 HydrophobicContact CB-CG 4.23Å; E264-M324 PolarHBondContact O-N 3.2Å; E264-Y356 WeakPolarHBondContact OE2-CE2 3.44Å; E264-Y356 PolarHBondContact OE2-OH 3.42Å; E264-R357 IonicContact OE1-CZ 3.36Å; E264-R357 IonicContact OE1-NE 2.75Å; E264-R357 IonicContact OE1-NH2 3.46Å; E264-R357 PolarHBondContact OE1-NH2 2.8Å; E264-R357 IonicContact OE2-NH2 3.86Å
265	E	98.5	Very high	97.9	Very high	26 Å²	26	26.7 Å²	26.7	12%	0.121	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	129.5	178.8	-62.6	-178.1	163.7	0	0	109.7	L259 Y260 D263 K321	L259-E265 CarbonylContact C-O 3.59Å; L259-E265 VanDerWaalsContact CA-O 3.32Å; L259-E265 WeakPolarHBondContact CA-O 3.25Å; Y260-E265 PolarHBondContact N-O 3.45Å; Y260-E265 WeakPolarHBondContact O-CB 3.38Å; Y260-E265 PolarHBondContact O-N 3.32Å; D263-E265 VanDerWaalsContact C-N 3.31Å; D263-E265 HydrophobicContact CB-CG 4.29Å; D263-E265 PolarHBondContact O-N 3.47Å; E265-K321 VanDerWaalsContact OE1-CD 3.28Å; E265-K321 WeakPolarHBondContact OE1-CD 3.43Å; E265-K321 WeakPolarHBondContact OE1-CE 3.15Å; E265-K321 IonicContact OE1-NZ 2.68Å; E265-K321 PolarHBondContact OE1-NZ 2.95Å; E265-K321 WeakPolarHBondContact OE2-CE 3.32Å; E265-K321 IonicContact OE2-NZ 3.65Å; E265-K321 PolarHBondContact OE2-NZ 3.39Å
266	I	98.6	Very high	98	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.5	175.7	-63	165.1	0	0	0	108.5	L257 L259 E264 L274 I276 P290 M322 M324 L327	L257-I266 HydrophobicContact CD1-CG2 3.76Å; L257-I266 HydrophobicContact CD2-CG1 4.36Å; L257-I266 HydrophobicContact CD2-CG2 4.4Å; L257-I266 HydrophobicContact CG-CG2 4.35Å; L259-I266 HydrophobicContact CD2-CG1 4.16Å; E264-I266 PolarHBondContact O-N 3.11Å; I266-L274 HydrophobicContact CG2-CD1 3.76Å; I266-L274 HydrophobicContact CG2-CG 4Å; I266-I276 HydrophobicContact CD1-CD1 4.36Å; I266-P290 WeakPolarHBondContact O-CG 3.47Å; I266-M322 WeakPolarHBondContact CB-O 3.02Å; I266-M322 PolarHBondContact N-O 2.82Å; I266-M324 HydrophobicContact CD1-SD 4.11Å; I266-M324 HydrophobicContact CG1-CG 4.41Å; I266-M324 HydrophobicContact CG1-SD 4.05Å; I266-L327 HydrophobicContact CD1-CB 3.87Å; I266-L327 HydrophobicContact CD1-CD2 3.6Å; I266-L327 HydrophobicContact CD1-CG 4.31Å
267	T	98.7	Very high	98	Very high	8 Å²	8	27.1 Å²	27.1	5%	0.049	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-72.3	-176	60.2	0	0	0	0	113.1	W258 P290 I295 I296	W258-T267 VanDerWaalsContact C-OG1 3.3Å; W258-T267 WeakPolarHBondContact CB-OG1 2.95Å; W258-T267 PolarHBondContact O-N 3.27Å; W258-T267 PolarHBondContact O-OG1 3.5Å; T267-P290 WeakPolarHBondContact O-CG 3.33Å; T267-I295 HydrophobicContact CG2-CD1 3.68Å; T267-I295 HydrophobicContact CG2-CG1 4.25Å; T267-I296 VanDerWaalsContact CB-CD1 3.45Å; T267-I296 HydrophobicContact CG2-CD1 4.02Å
268	E	98.7	Very high	98	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.4	-173.5	-69.8	-173.4	155	0	0	111.2	R223 W258 M272 N273 I296 L297	R223-E268 WeakPolarHBondContact CD-OE2 3.21Å; R223-E268 IonicContact CZ-OE2 2.69Å; R223-E268 VanDerWaalsContact CZ-OE2 3.24Å; R223-E268 IonicContact NE-OE2 3.05Å; R223-E268 PolarHBondContact NE-OE2 3.36Å; R223-E268 IonicContact NH2-OE2 2.66Å; R223-E268 PolarHBondContact NH2-OE2 2.8Å; W258-E268 PolarHBondContact N-O 3.01Å; E268-M272 WeakPolarHBondContact CB-O 3.48Å; E268-N273 PolarHBondContact OE1-ND2 2.8Å; E268-I296 HydrophobicContact CG-CD1 3.99Å; E268-I296 HydrophobicContact CG-CG2 4.37Å; E268-L297 WeakPolarHBondContact OE1-CB 3.28Å; E268-L297 PolarHBondContact OE1-N 3.03Å
269	V	96.8	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	102.8	173.2	178.5	0	0	0	0	108.5	L215 Q255 V256 L257 T271 M272 L274	L215-V269 HydrophobicContact CD1-CG1 3.95Å; L215-V269 HydrophobicContact CD1-CG2 3.81Å; L215-V269 HydrophobicContact CD2-CG1 3.44Å; L215-V269 VanDerWaalsContact CD2-CG1 3.44Å; L215-V269 HydrophobicContact CG-CG1 4.36Å; Q255-V269 HydrophobicContact CB-CG1 4.08Å; V256-V269 CarbonylContact O-C 3.51Å; V256-V269 WeakPolarHBondContact O-CA 3.43Å; L257-V269 HydrophobicContact CD1-CG2 3.73Å; V269-T271 PolarHBondContact O-N 2.7Å; V269-M272 HydrophobicContact CB-CE 4.2Å; V269-M272 HydrophobicContact CG1-CE 3.69Å; V269-M272 PolarHBondContact N-O 3.14Å; V269-M272 WeakPolarHBondContact O-CA 3.46Å; V269-M272 VanDerWaalsContact O-CB 3.28Å; V269-M272 WeakPolarHBondContact O-CB 3.38Å; V269-M272 WeakPolarHBondContact O-CE 3.44Å; V269-M272 PolarHBondContact O-N 2.75Å; V269-L274 HydrophobicContact CG2-CB 4.08Å; V269-L274 HydrophobicContact CG2-CD2 3.58Å; V269-L274 HydrophobicContact CG2-CG 3.95Å
270	G	95.4	Very high	97.9	Very high	7 Å²	7	28 Å²	28	7%	0.072	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-111.1	-175.5	0	0	0	0	0	110.8	V256 W258	V256-G270 PolarHBondContact O-N 3.04Å; W258-G270 PolarHBondContact NE1-O 2.88Å
271	T	95.8	Very high	97.7	Very high	93 Å²	93	31.4 Å²	31.4	57%	0.571	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	24.9	175.1	68.9	0	0	0	0	113	Y238 V269	Y238-T271 HydrophobicContact CD1-CG2 4.11Å; Y238-T271 HydrophobicContact CE1-CG2 4.01Å; V269-T271 PolarHBondContact O-N 2.7Å
272	M	97.5	Very high	97.6	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.044	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.3	-177.3	-56.4	176.6	-73	0	0	110.7	Q255 E268 V269 C346 C349	Q255-M272 HydrophobicContact CG-CE 4.43Å; E268-M272 WeakPolarHBondContact CB-O 3.48Å; V269-M272 HydrophobicContact CB-CE 4.2Å; V269-M272 HydrophobicContact CG1-CE 3.69Å; V269-M272 PolarHBondContact N-O 3.14Å; V269-M272 WeakPolarHBondContact O-CA 3.46Å; V269-M272 VanDerWaalsContact O-CB 3.28Å; V269-M272 WeakPolarHBondContact O-CB 3.38Å; V269-M272 WeakPolarHBondContact O-CE 3.44Å; V269-M272 PolarHBondContact O-N 2.75Å; M272-C346 PolarHBondContact SD-SG 3.38Å; M272-C349 HydrophobicContact CE-CB 4.01Å; M272-C349 HydrophobicContact SD-CB 3.63Å
273	N	98.8	Very high	97.6	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.032	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	148.8	168	-61.9	117.9	0	0	0	110.2	E268 I296 L297 G299 R302 G341 A342	E268-N273 PolarHBondContact OE1-ND2 2.8Å; N273-I296 VanDerWaalsContact ND2-CG2 3.34Å; N273-I296 WeakPolarHBondContact ND2-CG2 3.03Å; N273-L297 PolarHBondContact ND2-O 2.73Å; N273-L297 PolarHBondContact OD1-O 3.22Å; N273-G299 VanDerWaalsContact OD1-CA 3.23Å; N273-G299 WeakPolarHBondContact OD1-CA 3.49Å; N273-G299 PolarHBondContact OD1-N 2.66Å; N273-R302 HydrophobicContact CB-CB 3.87Å; N273-R302 HydrophobicContact CB-CG 4.1Å; N273-R302 WeakPolarHBondContact OD1-CB 3.49Å; N273-G341 CarbonylContact O-C 3.56Å; N273-G341 VanDerWaalsContact O-CA 3.25Å; N273-G341 WeakPolarHBondContact O-CA 3.44Å; N273-A342 PolarHBondContact N-O 3.4Å; N273-A342 PolarHBondContact O-N 2.87Å
274	L	98.3	Very high	97.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.7	-177.2	-175.1	-86.5	0	0	0	111.7	L257 I266 V269 I276 T289 P290 V339	L257-L274 HydrophobicContact CD1-CG 4.49Å; I266-L274 HydrophobicContact CG2-CD1 3.76Å; I266-L274 HydrophobicContact CG2-CG 4Å; V269-L274 HydrophobicContact CG2-CB 4.08Å; V269-L274 HydrophobicContact CG2-CD2 3.58Å; V269-L274 HydrophobicContact CG2-CG 3.95Å; L274-I276 HydrophobicContact CD1-CD1 3.72Å; L274-I276 HydrophobicContact CD1-CG1 3.61Å; L274-T289 WeakPolarHBondContact O-CB 3.49Å; L274-T289 PolarHBondContact O-OG1 2.78Å; L274-P290 WeakPolarHBondContact O-CD 3.43Å; L274-V339 HydrophobicContact CD2-CG1 3.55Å
275	F	98.8	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.5	170.1	-74.3	-94.3	0	0	0	111.5	L287 V288 T289 R302 L305 L306 V339 F340 A342	F275-L287 HydrophobicContact CB-CD1 4.06Å; F275-L287 HydrophobicContact CD1-CD1 3.84Å; F275-L287 HydrophobicContact CD1-CD2 3.95Å; F275-L287 HydrophobicContact CD1-CG 3.83Å; F275-L287 HydrophobicContact CE1-CD2 4.22Å; F275-L287 HydrophobicContact CE1-CG 4.46Å; F275-L287 HydrophobicContact CG-CD1 4.41Å; F275-V288 WeakPolarHBondContact CA-O 3.49Å; F275-T289 HydrophobicContact CD1-CG2 4.35Å; F275-T289 HydrophobicContact CE1-CG2 3.83Å; F275-T289 HydrophobicContact CZ-CG2 4.23Å; F275-R302 HydrophobicContact CE2-CB 4.11Å; F275-R302 HydrophobicContact CE2-CG 3.92Å; F275-R302 HydrophobicContact CZ-CB 4.17Å; F275-R302 HydrophobicContact CZ-CG 3.66Å; F275-L305 HydrophobicContact CD2-CD1 4.14Å; F275-L305 HydrophobicContact CE1-CB 4.28Å; F275-L305 HydrophobicContact CE2-CB 4.43Å; F275-L305 HydrophobicContact CE2-CD1 3.95Å; F275-L305 HydrophobicContact CZ-CB 3.95Å; F275-L305 HydrophobicContact CZ-CD1 4.28Å; F275-L306 HydrophobicContact CE1-CD2 4.04Å; F275-L306 HydrophobicContact CE1-CG 4.23Å; F275-L306 HydrophobicContact CZ-CG 4.31Å; F275-V339 WeakPolarHBondContact O-CA 3.46Å; F275-F340 HydrophobicContact CB-CD2 3.8Å; F275-F340 HydrophobicContact CB-CE1 4.38Å; F275-F340 HydrophobicContact CB-CE2 3.4Å; F275-F340 HydrophobicContact CB-CG 4.45Å; F275-F340 HydrophobicContact CB-CZ 3.72Å; F275-F340 HydrophobicContact CD2-CD2 4.48Å; F275-F340 HydrophobicContact CD2-CE2 4.12Å; F275-F340 HydrophobicContact CG-CD2 4.43Å; F275-F340 AromaticContact CG-CE2 3.81Å; F275-F340 HydrophobicContact CG-CE2 3.81Å; F275-F340 HydrophobicContact CG-CZ 4.36Å; F275-F340 PolarHBondContact N-O 2.79Å; F275-F340 PolarHBondContact O-N 2.65Å; F275-A342 HydrophobicContact CD2-CB 3.92Å; F275-A342 HydrophobicContact CE2-CB 3.76Å
276	I	98.8	Very high	97.8	Very high	3 Å²	3	36 Å²	36	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.8	174.2	-63.6	162.9	0	0	0	107.8	I266 L274 W278 V288 M322 L327 V339	I266-I276 HydrophobicContact CD1-CD1 4.36Å; L274-I276 HydrophobicContact CD1-CD1 3.72Å; L274-I276 HydrophobicContact CD1-CG1 3.61Å; I276-W278 HydrophobicContact CG2-CB 4.12Å; I276-W278 HydrophobicContact CG2-CG 4.29Å; I276-V288 PolarHBondContact N-O 2.92Å; I276-V288 PolarHBondContact O-N 3.48Å; I276-M322 HydrophobicContact CD1-CG 4.49Å; I276-M322 HydrophobicContact CD1-SD 3.43Å; I276-M322 WeakPolarHBondContact CD1-SD 3.34Å; I276-M322 HydrophobicContact CG2-SD 4.44Å; I276-L327 HydrophobicContact CD1-CD1 4.23Å; I276-V339 HydrophobicContact CG1-CG1 4.17Å; I276-V339 HydrophobicContact CG1-CG2 4.18Å; I276-V339 HydrophobicContact CG2-CG2 4.43Å
277	Y	98.8	Very high	97.8	Very high	34 Å²	34	35.8 Å²	35.8	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.1	170.1	-174.3	-128	0	0	0	109.2	R285 E286 L287 F315 L337 E338 L372	Y277-R285 HydrophobicContact CE2-CB 4.09Å; Y277-E286 WeakPolarHBondContact CA-O 3.25Å; Y277-E286 VanDerWaalsContact CD2-O 3.27Å; Y277-E286 WeakPolarHBondContact CD2-O 3.39Å; Y277-L287 HydrophobicContact CD2-CB 4.35Å; Y277-F315 HydrophobicContact CE2-CB 4.14Å; Y277-F315 HydrophobicContact CE2-CD1 4.24Å; Y277-F315 HydrophobicContact CE2-CD2 4.32Å; Y277-F315 AromaticContact CE2-CG 3.97Å; Y277-F315 HydrophobicContact CE2-CG 3.97Å; Y277-L337 HydrophobicContact CD1-CB 3.95Å; Y277-L337 HydrophobicContact CD1-CD1 3.69Å; Y277-L337 HydrophobicContact CD1-CG 4.47Å; Y277-L337 HydrophobicContact CE1-CB 4.49Å; Y277-L337 HydrophobicContact CE1-CD1 3.52Å; Y277-L337 HydrophobicContact CG-CD1 4.39Å; Y277-L337 WeakPolarHBondContact O-CA 3.38Å; Y277-L337 WeakPolarHBondContact O-CB 3.25Å; Y277-L337 PolarHBondContact O-N 3.3Å; Y277-E338 HydrophobicContact CD1-CG 4.42Å; Y277-E338 PolarHBondContact N-O 2.78Å; Y277-E338 PolarHBondContact O-N 3.22Å; Y277-L372 HydrophobicContact CD1-CB 4.12Å; Y277-L372 HydrophobicContact CD1-CD2 3.75Å; Y277-L372 HydrophobicContact CD2-CD2 3.48Å; Y277-L372 VanDerWaalsContact CD2-CD2 3.48Å; Y277-L372 HydrophobicContact CE1-CB 4.35Å; Y277-L372 HydrophobicContact CE1-CD2 4.15Å; Y277-L372 HydrophobicContact CE2-CD2 3.9Å; Y277-L372 HydrophobicContact CG-CD2 3.42Å; Y277-L372 VanDerWaalsContact CG-CD2 3.42Å
278	W	98.6	Very high	97.8	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	170.6	-169	76.6	-38	0	0	0	111.9	I276 N280 E286 M322 E326 A330 R335	I276-W278 HydrophobicContact CG2-CB 4.12Å; I276-W278 HydrophobicContact CG2-CG 4.29Å; W278-N280 HydrophobicContact CH2-CB 4.47Å; W278-N280 HydrophobicContact CZ2-CB 3.63Å; W278-E286 VanDerWaalsContact CD1-O 3.31Å; W278-E286 PolarHBondContact N-O 3.25Å; W278-E286 PolarHBondContact NE1-OE2 3.32Å; W278-E286 PolarHBondContact O-N 3.14Å; W278-M322 HydrophobicContact CD2-CE 4.24Å; W278-M322 HydrophobicContact CE3-CE 3.77Å; W278-M322 HydrophobicContact CH2-CE 3.9Å; W278-M322 HydrophobicContact CZ2-CE 4.38Å; W278-M322 HydrophobicContact CZ3-CE 3.53Å; W278-E326 WeakPolarHBondContact CH2-OE1 3.42Å; W278-A330 HydrophobicContact CE3-CB 3.65Å; W278-A330 HydrophobicContact CZ3-CB 3.73Å; W278-R335 CarbonylContact C-O 3.56Å; W278-R335 VanDerWaalsContact CA-O 3.27Å; W278-R335 WeakPolarHBondContact CA-O 3.08Å; W278-R335 WeakPolarHBondContact CB-O 3.4Å
279	T	98.5	Very high	97.8	Very high	28 Å²	28	35.3 Å²	35.3	17%	0.172	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.3	163.2	-58.1	0	0	0	0	109.3	E284 R285 R335	T279-E284 WeakPolarHBondContact CA-O 3.47Å; T279-R285 PolarHBondContact OG1-NH1 2.99Å; T279-R335 PolarHBondContact N-O 3.02Å; T279-R335 WeakPolarHBondContact O-CB 3.31Å; T279-R335 PolarHBondContact O-NH1 3.45Å; T279-R335 VanDerWaalsContact O-NH1 3.13Å
280	N	96.9	Very high	97.9	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.048	19%	0.193	C	C	.	.			trans	-70.7	176.8	179.7	75.5	16.2	0	0	0	112	W278 K282 G283 E284 E286	W278-N280 HydrophobicContact CH2-CB 4.47Å; W278-N280 HydrophobicContact CZ2-CB 3.63Å; N280-K282 PolarHBondContact O-N 3.03Å; N280-K282 VanDerWaalsContact O-N 3.11Å; N280-K282 WeakPolarHBondContact OD1-CA 3.28Å; N280-K282 WeakPolarHBondContact OD1-CB 3.43Å; N280-K282 PolarHBondContact OD1-N 3.39Å; N280-G283 PolarHBondContact O-N 3.24Å; N280-G283 PolarHBondContact OD1-N 2.93Å; N280-E284 PolarHBondContact N-O 3.39Å; N280-E284 PolarHBondContact ND2-OE2 3.2Å; N280-E284 PolarHBondContact OD1-N 2.93Å; N280-E286 HydrophobicContact CB-CB 4.36Å; N280-E286 WeakPolarHBondContact CB-OE2 3.35Å
281	T	95.1	Very high	98	Very high	120 Å²	120	36.8 Å²	36.8	74%	0.736	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.5	-178	51.9	0	0	0	0	114.3
282	K	96.6	Very high	98.1	Very high	163 Å²	163	35.9 Å²	35.9	71%	0.709	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	0.6	174.2	-58.3	-176.2	179.3	-175.7	0	113.2	N280 E284	N280-K282 PolarHBondContact O-N 3.03Å; N280-K282 VanDerWaalsContact O-N 3.11Å; N280-K282 WeakPolarHBondContact OD1-CA 3.28Å; N280-K282 WeakPolarHBondContact OD1-CB 3.43Å; N280-K282 PolarHBondContact OD1-N 3.39Å; K282-E284 HydrophobicContact CB-CG 4.2Å
283	G	96.9	Very high	98.1	Very high	56 Å²	56	37.8 Å²	37.8	58%	0.577	20%	0.201	S	C	*	.	S	Bend	trans	83.5	8.2	-176.9	0	0	0	0	0	114.4	N280	N280-G283 PolarHBondContact O-N 3.24Å; N280-G283 PolarHBondContact OD1-N 2.93Å
284	E	98	Very high	98	Very high	83 Å²	83	38 Å²	38	39%	0.388	21%	0.205	S	C	.	.			trans	-89.3	140.2	-178.7	-52.9	164.6	154.4	0	0	110.5	T279 N280 K282 E286	T279-E284 WeakPolarHBondContact CA-O 3.47Å; N280-E284 PolarHBondContact N-O 3.39Å; N280-E284 PolarHBondContact ND2-OE2 3.2Å; N280-E284 PolarHBondContact OD1-N 2.93Å; K282-E284 HydrophobicContact CB-CG 4.2Å; E284-E286 PolarHBondContact O-N 3Å
285	R	98.4	Very high	98	Very high	117 Å²	117	38.1 Å²	38.1	44%	0.442	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.9	165.8	-65.6	-60.8	-163.4	-163.5	9.6	109	Y277 T279 F315 K316 L337	Y277-R285 HydrophobicContact CE2-CB 4.09Å; T279-R285 PolarHBondContact OG1-NH1 2.99Å; R285-F315 HydrophobicContact CB-CB 3.93Å; R285-F315 WeakPolarHBondContact O-CB 3.39Å; R285-K316 PolarHBondContact O-N 2.86Å; R285-L337 VanDerWaalsContact NH1-CD2 3.31Å
286	E	98.8	Very high	98	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.019	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.9	-175.7	-173.8	179.1	-133.5	0	0	110.7	Y277 W278 N280 E284 V288 K316 T318	Y277-E286 WeakPolarHBondContact CA-O 3.25Å; Y277-E286 VanDerWaalsContact CD2-O 3.27Å; Y277-E286 WeakPolarHBondContact CD2-O 3.39Å; W278-E286 VanDerWaalsContact CD1-O 3.31Å; W278-E286 PolarHBondContact N-O 3.25Å; W278-E286 PolarHBondContact NE1-OE2 3.32Å; W278-E286 PolarHBondContact O-N 3.14Å; N280-E286 HydrophobicContact CB-CB 4.36Å; N280-E286 WeakPolarHBondContact CB-OE2 3.35Å; E284-E286 PolarHBondContact O-N 3Å; E286-V288 HydrophobicContact CG-CG2 3.72Å; E286-V288 WeakPolarHBondContact OE2-CG2 3.39Å; E286-K316 CarbonylContact C-O 3.5Å; E286-K316 VanDerWaalsContact CA-O 3.25Å; E286-K316 WeakPolarHBondContact CA-O 3.5Å; E286-K316 HydrophobicContact CB-CB 4.19Å; E286-K316 HydrophobicContact CG-CB 4.04Å; E286-K316 HydrophobicContact CG-CD 4.23Å; E286-K316 HydrophobicContact CG-CG 4.15Å; E286-K316 WeakPolarHBondContact OE1-CD 3.41Å; E286-K316 VanDerWaalsContact OE1-CE 3.31Å; E286-K316 WeakPolarHBondContact OE1-CE 3.43Å; E286-K316 IonicContact OE1-NZ 3.85Å; E286-K316 PolarHBondContact OE1-NZ 2.81Å; E286-T318 VanDerWaalsContact OE1-CB 3.32Å; E286-T318 WeakPolarHBondContact OE1-CB 3.22Å; E286-T318 PolarHBondContact OE1-OG1 2.94Å
287	L	98.8	Very high	98	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.9	166.9	-177.7	67.2	0	0	0	108.4	F275 Y277 F315 K316 T318 F340 L372 F376	F275-L287 HydrophobicContact CB-CD1 4.06Å; F275-L287 HydrophobicContact CD1-CD1 3.84Å; F275-L287 HydrophobicContact CD1-CD2 3.95Å; F275-L287 HydrophobicContact CD1-CG 3.83Å; F275-L287 HydrophobicContact CE1-CD2 4.22Å; F275-L287 HydrophobicContact CE1-CG 4.46Å; F275-L287 HydrophobicContact CG-CD1 4.41Å; Y277-L287 HydrophobicContact CD2-CB 4.35Å; L287-F315 HydrophobicContact CB-CD2 3.84Å; L287-F315 HydrophobicContact CB-CE2 3.66Å; L287-F315 HydrophobicContact CD2-CE2 3.94Å; L287-F315 HydrophobicContact CG-CE2 4.43Å; L287-K316 PolarHBondContact N-O 2.83Å; L287-T318 PolarHBondContact O-N 2.88Å; L287-F340 HydrophobicContact CD1-CZ 3.98Å; L287-L372 HydrophobicContact CD1-CD2 4.06Å; L287-F376 HydrophobicContact CD2-CE2 3.81Å; L287-F376 HydrophobicContact CD2-CZ 3.7Å
288	V	98.7	Very high	98	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.7	-179.3	177.2	0	0	0	0	110.4	F275 I276 E286 T318 R320	F275-V288 WeakPolarHBondContact CA-O 3.49Å; I276-V288 PolarHBondContact N-O 2.92Å; I276-V288 PolarHBondContact O-N 3.48Å; E286-V288 HydrophobicContact CG-CG2 3.72Å; E286-V288 WeakPolarHBondContact OE2-CG2 3.39Å; V288-T318 WeakPolarHBondContact CA-O 3.38Å; V288-R320 HydrophobicContact CG1-CG 3.73Å
289	T	98.9	Very high	98	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.2	166.6	-172.9	0	0	0	0	109.8	L274 F275 L306 T318 E319 R320	L274-T289 WeakPolarHBondContact O-CB 3.49Å; L274-T289 PolarHBondContact O-OG1 2.78Å; F275-T289 HydrophobicContact CD1-CG2 4.35Å; F275-T289 HydrophobicContact CE1-CG2 3.83Å; F275-T289 HydrophobicContact CZ-CG2 4.23Å; T289-L306 HydrophobicContact CG2-CD1 4.3Å; T289-L306 HydrophobicContact CG2-CD2 3.87Å; T289-L306 HydrophobicContact CG2-CG 4.45Å; T289-T318 PolarHBondContact N-O 2.86Å; T289-T318 VanDerWaalsContact N-O 3.13Å; T289-E319 HydrophobicContact CG2-CG 3.94Å; T289-E319 CarbonylContact O-C 3.59Å; T289-E319 VanDerWaalsContact O-CA 3.28Å; T289-E319 WeakPolarHBondContact O-CA 3.48Å; T289-R320 PolarHBondContact O-N 3.06Å
290	P	98.7	Very high	98	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.058	21%	0.209	C	C	.	.			trans	-58.2	144.1	176	-29.2	39.9	0	0	0	112.7	I266 T267 L274 I296 R302	I266-P290 WeakPolarHBondContact O-CG 3.47Å; T267-P290 WeakPolarHBondContact O-CG 3.33Å; L274-P290 WeakPolarHBondContact O-CD 3.43Å; P290-I296 HydrophobicContact CB-CD1 3.98Å; P290-I296 HydrophobicContact CB-CG1 4.09Å; P290-R302 PolarHBondContact O-NH2 2.8Å
291	P	98.5	Very high	98.1	Very high	29 Å²	29	37.8 Å²	37.8	19%	0.188	21%	0.209	C	C	.	.			trans	-73.8	159.8	-177.9	32.6	-35.8	0	0	0	111.9	D293 I296 E319 K321	P291-D293 VanDerWaalsContact C-N 3.35Å; P291-D293 HydrophobicContact CG-CB 4.39Å; P291-D293 PolarHBondContact O-N 3.05Å; P291-I296 WeakPolarHBondContact O-CG1 3.27Å; P291-E319 HydrophobicContact CB-CB 4.49Å; P291-K321 HydrophobicContact CG-CG 4.16Å
292	L	98.4	Very high	98.2	Very high	74 Å²	74	32.1 Å²	32.1	39%	0.387	17%	0.174	S	C	.	.			trans	-81.6	81.4	174.9	-59.7	-175.7	0	0	0	110.6	I296 P298	L292-I296 HydrophobicContact CD2-CB 4.18Å; L292-I296 HydrophobicContact CD2-CG2 3.98Å; L292-P298 HydrophobicContact CD1-CB 3.88Å; L292-P298 HydrophobicContact CD1-CG 4.04Å; L292-P298 HydrophobicContact CD2-CB 4.19Å; L292-P298 HydrophobicContact CD2-CG 4.06Å
293	D	96.3	Very high	98.3	Very high	49 Å²	49	27.1 Å²	27.1	26%	0.262	15%	0.154	S	C	.	.	S	Bend	trans	-115.9	19.7	-171.9	66.3	7.5	0	0	0	112.9	K226 P291 I295 K321	K226-D293 WeakPolarHBondContact CD-O 3.35Å; K226-D293 PolarHBondContact NZ-O 2.8Å; K226-D293 IonicContact NZ-OD1 3.01Å; K226-D293 PolarHBondContact NZ-OD1 2.86Å; K226-D293 IonicContact NZ-OD2 2.87Å; K226-D293 PolarHBondContact NZ-OD2 3.19Å; P291-D293 VanDerWaalsContact C-N 3.35Å; P291-D293 HydrophobicContact CG-CB 4.39Å; P291-D293 PolarHBondContact O-N 3.05Å; D293-I295 WeakPolarHBondContact OD1-CG1 3.49Å; D293-K321 WeakPolarHBondContact OD2-CE 3.45Å
294	G	97.3	Very high	98.4	Very high	12 Å²	12	24.5 Å²	24.5	12%	0.124	13%	0.126	C	C	.	.	S	Bend	trans	103.5	-16.6	174.7	0	0	0	0	0	115.7	E231	E231-G294 PolarHBondContact N-O 2.68Å
295	I	98.1	Very high	98.5	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	11%	0.108	C	C	.	.	S	Bend	trans	-104.3	-5.6	179.2	71	-177.2	0	0	0	113.7	R223 A224 K226 Y260 T267 D293	R223-I295 PolarHBondContact NH2-O 3.1Å; A224-I295 HydrophobicContact CB-CB 4.2Å; K226-I295 HydrophobicContact CD-CG2 4.08Å; K226-I295 HydrophobicContact CG-CG2 4.48Å; Y260-I295 HydrophobicContact CD1-CD1 3.57Å; Y260-I295 HydrophobicContact CD2-CD1 4.23Å; Y260-I295 HydrophobicContact CE1-CD1 4.12Å; Y260-I295 HydrophobicContact CG-CD1 3.63Å; T267-I295 HydrophobicContact CG2-CD1 3.68Å; T267-I295 HydrophobicContact CG2-CG1 4.25Å; D293-I295 WeakPolarHBondContact OD1-CG1 3.49Å
296	I	98.7	Very high	98.5	Very high	2 Å²	2	15 Å²	15	1%	0.01	9%	0.087	C	C	.	.	S	Bend	trans	-109.8	132.1	-179.6	-53.4	-60.1	0	0	0	109	E231 T267 E268 N273 P290 P291 L292 P298	E231-I296 WeakPolarHBondContact CA-O 3.49Å; E231-I296 WeakPolarHBondContact CB-O 3.49Å; T267-I296 VanDerWaalsContact CB-CD1 3.45Å; T267-I296 HydrophobicContact CG2-CD1 4.02Å; E268-I296 HydrophobicContact CG-CD1 3.99Å; E268-I296 HydrophobicContact CG-CG2 4.37Å; N273-I296 VanDerWaalsContact ND2-CG2 3.34Å; N273-I296 WeakPolarHBondContact ND2-CG2 3.03Å; P290-I296 HydrophobicContact CB-CD1 3.98Å; P290-I296 HydrophobicContact CB-CG1 4.09Å; P291-I296 WeakPolarHBondContact O-CG1 3.27Å; L292-I296 HydrophobicContact CD2-CB 4.18Å; L292-I296 HydrophobicContact CD2-CG2 3.98Å; I296-P298 VanDerWaalsContact O-CD 3.32Å; I296-P298 WeakPolarHBondContact O-CD 3.23Å
297	L	98.8	Very high	98.5	Very high	15 Å²	15	16.4 Å²	16.4	8%	0.079	10%	0.095	C	C	.	.			trans	-71.7	124.5	172.9	-173.4	70.9	0	0	0	109.3	K233 E268 N273 G299	K233-L297 HydrophobicContact CB-CD1 4.2Å; K233-L297 HydrophobicContact CD-CD2 4.33Å; K233-L297 HydrophobicContact CG-CD2 4.42Å; E268-L297 WeakPolarHBondContact OE1-CB 3.28Å; E268-L297 PolarHBondContact OE1-N 3.03Å; N273-L297 PolarHBondContact ND2-O 2.73Å; N273-L297 PolarHBondContact OD1-O 3.22Å; L297-G299 VanDerWaalsContact C-N 3.33Å; L297-G299 PolarHBondContact O-N 3.31Å
298	P	98.6	Very high	98.5	Very high	25 Å²	25	17 Å²	17	16%	0.162	10%	0.098	C	C	.	.			trans	-69.6	84.8	176.8	-22.3	36.3	0	0	0	111.7	R130 E231 L292 I296	R130-P298 PolarHBondContact NH1-O 2.92Å; E231-P298 WeakPolarHBondContact O-CD 3.42Å; L292-P298 HydrophobicContact CD1-CB 3.88Å; L292-P298 HydrophobicContact CD1-CG 4.04Å; L292-P298 HydrophobicContact CD2-CB 4.19Å; L292-P298 HydrophobicContact CD2-CG 4.06Å; I296-P298 VanDerWaalsContact O-CD 3.32Å; I296-P298 WeakPolarHBondContact O-CD 3.23Å
299	G	98.6	Very high	98.5	Very high	11 Å²	11	16.9 Å²	16.9	11%	0.113	10%	0.097	C	C	.	.			trans	-69.3	141.3	-178.4	0	0	0	0	0	113.1	N273 L297 T301 R302 Q303	N273-G299 VanDerWaalsContact OD1-CA 3.23Å; N273-G299 WeakPolarHBondContact OD1-CA 3.49Å; N273-G299 PolarHBondContact OD1-N 2.66Å; L297-G299 VanDerWaalsContact C-N 3.33Å; L297-G299 PolarHBondContact O-N 3.31Å; G299-T301 VanDerWaalsContact C-N 3.34Å; G299-R302 WeakPolarHBondContact O-CB 3.45Å; G299-R302 PolarHBondContact O-N 2.96Å; G299-Q303 PolarHBondContact O-N 3.19Å
300	V	98.7	Very high	98.4	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.048	12%	0.119	C	C	.	.	H	α-helix	trans	-67.2	-39.9	176.3	173.1	0	0	0	0	110.5	F122 R123 L126 N127 Q303 S304	F122-V300 HydrophobicContact CD1-CG1 4.43Å; F122-V300 HydrophobicContact CE1-CG1 4.23Å; R123-V300 HydrophobicContact CB-CG1 3.84Å; L126-V300 HydrophobicContact CB-CG1 4.43Å; L126-V300 HydrophobicContact CB-CG2 3.68Å; L126-V300 HydrophobicContact CD1-CG1 4.11Å; N127-V300 WeakPolarHBondContact OD1-CG2 3.41Å; V300-Q303 PolarHBondContact O-N 2.86Å; V300-S304 WeakPolarHBondContact O-CB 3.3Å; V300-S304 PolarHBondContact O-N 3.22Å; V300-S304 PolarHBondContact O-OG 3.44Å
301	T	98.5	Very high	98.4	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-45.5	174.9	-42.9	0	0	0	0	110.8	G299 Q303 S304 L305 A342 G343 T344 V347 L380	G299-T301 VanDerWaalsContact C-N 3.34Å; T301-Q303 PolarHBondContact O-N 3.44Å; T301-S304 WeakPolarHBondContact O-CA 3.47Å; T301-S304 WeakPolarHBondContact O-CB 3.2Å; T301-S304 PolarHBondContact O-N 3.3Å; T301-L305 HydrophobicContact CG2-CD2 4.5Å; T301-L305 HydrophobicContact CG2-CG 4.44Å; T301-L305 WeakPolarHBondContact O-CG 3.27Å; T301-L305 PolarHBondContact O-N 2.89Å; T301-A342 HydrophobicContact CG2-CB 4.15Å; T301-G343 VanDerWaalsContact OG1-C 3.29Å; T301-T344 PolarHBondContact OG1-N 2.86Å; T301-V347 HydrophobicContact CG2-CG1 4.4Å; T301-V347 WeakPolarHBondContact CG2-O 3.36Å; T301-L380 HydrophobicContact CG2-CD1 3.85Å
302	R	98.8	Very high	98.4	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-51.7	-52.1	173.4	178.4	-164.8	-177.5	-87	3.2	111.8	N273 F275 P290 G299 S304 L305 L306 E319	N273-R302 HydrophobicContact CB-CB 3.87Å; N273-R302 HydrophobicContact CB-CG 4.1Å; N273-R302 WeakPolarHBondContact OD1-CB 3.49Å; F275-R302 HydrophobicContact CE2-CB 4.11Å; F275-R302 HydrophobicContact CE2-CG 3.92Å; F275-R302 HydrophobicContact CZ-CB 4.17Å; F275-R302 HydrophobicContact CZ-CG 3.66Å; P290-R302 PolarHBondContact O-NH2 2.8Å; G299-R302 WeakPolarHBondContact O-CB 3.45Å; G299-R302 PolarHBondContact O-N 2.96Å; R302-S304 VanDerWaalsContact C-N 3.27Å; R302-S304 PolarHBondContact O-N 2.95Å; R302-L305 PolarHBondContact O-N 3.29Å; R302-L306 HydrophobicContact CG-CD1 4.29Å; R302-L306 VanDerWaalsContact NH1-CD1 3.26Å; R302-L306 WeakPolarHBondContact O-CG 3.12Å; R302-L306 PolarHBondContact O-N 3.06Å; R302-E319 IonicContact CZ-OE2 2.7Å; R302-E319 VanDerWaalsContact CZ-OE2 3.25Å; R302-E319 IonicContact NH1-OE2 2.82Å; R302-E319 PolarHBondContact NH1-OE2 2.88Å; R302-E319 IonicContact NH2-OE2 2.68Å; R302-E319 PolarHBondContact NH2-OE2 3.05Å
303	Q	98.8	Very high	98.4	Very high	59 Å²	59	27.9 Å²	27.9	28%	0.276	16%	0.16	S	C	.	.	H	α-helix	trans	-58	-43	177.7	-173.2	60.9	51.7	0	0	111.4	G299 V300 T301 L305 L306 D307	G299-Q303 PolarHBondContact O-N 3.19Å; V300-Q303 PolarHBondContact O-N 2.86Å; T301-Q303 PolarHBondContact O-N 3.44Å; Q303-L305 PolarHBondContact O-N 2.94Å; Q303-L306 PolarHBondContact O-N 3.15Å; Q303-D307 PolarHBondContact NE2-OD1 2.7Å; Q303-D307 WeakPolarHBondContact O-CB 3.45Å; Q303-D307 PolarHBondContact O-N 3.3Å
304	S	98.8	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-37.3	-179.6	-51.6	0	0	0	0	112.7	R123 V300 T301 R302 L308	R123-S304 VanDerWaalsContact CD-OG 3.3Å; R123-S304 WeakPolarHBondContact CD-OG 3.33Å; R123-S304 PolarHBondContact NH1-OG 3.29Å; V300-S304 WeakPolarHBondContact O-CB 3.3Å; V300-S304 PolarHBondContact O-N 3.22Å; V300-S304 PolarHBondContact O-OG 3.44Å; T301-S304 WeakPolarHBondContact O-CA 3.47Å; T301-S304 WeakPolarHBondContact O-CB 3.2Å; T301-S304 PolarHBondContact O-N 3.3Å; R302-S304 VanDerWaalsContact C-N 3.27Å; R302-S304 PolarHBondContact O-N 2.95Å; S304-L308 WeakPolarHBondContact O-CB 3.48Å; S304-L308 VanDerWaalsContact O-CG 3.3Å; S304-L308 WeakPolarHBondContact O-CG 3.34Å; S304-L308 PolarHBondContact O-N 3.43Å
305	L	98.8	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69	-39	175.5	-57.9	-163.8	0	0	0	111.8	F275 T301 R302 Q303 G309 F340 A342 V348 F376 L380	F275-L305 HydrophobicContact CD2-CD1 4.14Å; F275-L305 HydrophobicContact CE1-CB 4.28Å; F275-L305 HydrophobicContact CE2-CB 4.43Å; F275-L305 HydrophobicContact CE2-CD1 3.95Å; F275-L305 HydrophobicContact CZ-CB 3.95Å; F275-L305 HydrophobicContact CZ-CD1 4.28Å; T301-L305 HydrophobicContact CG2-CD2 4.5Å; T301-L305 HydrophobicContact CG2-CG 4.44Å; T301-L305 WeakPolarHBondContact O-CG 3.27Å; T301-L305 PolarHBondContact O-N 2.89Å; R302-L305 PolarHBondContact O-N 3.29Å; Q303-L305 PolarHBondContact O-N 2.94Å; L305-G309 PolarHBondContact O-N 2.82Å; L305-F340 HydrophobicContact CD1-CE2 3.86Å; L305-A342 HydrophobicContact CD1-CB 3.74Å; L305-V348 HydrophobicContact CD1-CG2 4.35Å; L305-F376 HydrophobicContact CB-CD1 4.3Å; L305-F376 HydrophobicContact CB-CE1 4.09Å; L305-F376 HydrophobicContact CB-CZ 4.27Å; L305-F376 HydrophobicContact CD1-CD2 4.39Å; L305-F376 HydrophobicContact CD1-CG 4.43Å; L305-F376 HydrophobicContact CD2-CB 3.77Å; L305-F376 HydrophobicContact CD2-CD1 3.57Å; L305-F376 HydrophobicContact CD2-CD2 4.42Å; L305-F376 HydrophobicContact CD2-CE1 4.22Å; L305-F376 HydrophobicContact CD2-CG 3.69Å; L305-F376 HydrophobicContact CG-CD1 4.4Å; L305-F376 HydrophobicContact CG-CG 4.47Å; L305-F376 WeakPolarHBondContact O-CE1 3.5Å; L305-L380 HydrophobicContact CD2-CD1 3.58Å; L305-L380 HydrophobicContact CD2-CG 4.31Å
306	L	98.8	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-45.7	174.3	-71	172.8	0	0	0	111.6	F275 T289 R302 Q303 G309 R310 V317 E319	F275-L306 HydrophobicContact CE1-CD2 4.04Å; F275-L306 HydrophobicContact CE1-CG 4.23Å; F275-L306 HydrophobicContact CZ-CG 4.31Å; T289-L306 HydrophobicContact CG2-CD1 4.3Å; T289-L306 HydrophobicContact CG2-CD2 3.87Å; T289-L306 HydrophobicContact CG2-CG 4.45Å; R302-L306 HydrophobicContact CG-CD1 4.29Å; R302-L306 VanDerWaalsContact NH1-CD1 3.26Å; R302-L306 WeakPolarHBondContact O-CG 3.12Å; R302-L306 PolarHBondContact O-N 3.06Å; Q303-L306 PolarHBondContact O-N 3.15Å; L306-G309 PolarHBondContact O-N 2.68Å; L306-R310 WeakPolarHBondContact O-CB 3.19Å; L306-R310 WeakPolarHBondContact O-CD 3.41Å; L306-R310 WeakPolarHBondContact O-CG 3.32Å; L306-R310 PolarHBondContact O-N 2.85Å; L306-V317 HydrophobicContact CD2-CG1 3.39Å; L306-E319 HydrophobicContact CD1-CG 4.08Å; L306-E319 HydrophobicContact CD2-CG 4.22Å
307	D	98.8	Very high	98.5	Very high	34 Å²	34	36.1 Å²	36.1	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-51.3	176.8	-65.5	-15.5	0	0	0	110	R123 Q303 R310 T311 W392	R123-D307 IonicContact CZ-OD2 2.82Å; R123-D307 VanDerWaalsContact CZ-OD2 3.32Å; R123-D307 IonicContact NH1-OD2 2.74Å; R123-D307 PolarHBondContact NH1-OD2 3.14Å; R123-D307 IonicContact NH2-OD2 3.3Å; R123-D307 PolarHBondContact NH2-OD2 2.68Å; Q303-D307 PolarHBondContact NE2-OD1 2.7Å; Q303-D307 WeakPolarHBondContact O-CB 3.45Å; Q303-D307 PolarHBondContact O-N 3.3Å; D307-R310 PolarHBondContact O-N 2.92Å; D307-T311 WeakPolarHBondContact O-CB 3.33Å; D307-T311 PolarHBondContact O-N 3.01Å; D307-T311 PolarHBondContact O-OG1 3.45Å; D307-W392 HydrophobicContact CB-CH2 3.71Å; D307-W392 HydrophobicContact CB-CZ2 3.74Å
308	L	98.6	Very high	98.5	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.068	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-48.3	178.1	-75.7	174.9	0	0	0	112.9	S304 R310 T311 W312 F376 E379 L380 W392	S304-L308 WeakPolarHBondContact O-CB 3.48Å; S304-L308 VanDerWaalsContact O-CG 3.3Å; S304-L308 WeakPolarHBondContact O-CG 3.34Å; S304-L308 PolarHBondContact O-N 3.43Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 2.86Å; L308-T311 PolarHBondContact O-N 3.3Å; L308-W312 HydrophobicContact CB-CH2 4.4Å; L308-W312 HydrophobicContact CB-CZ2 4.14Å; L308-W312 HydrophobicContact CD1-CZ2 4.39Å; L308-W312 HydrophobicContact CD2-CZ2 4.44Å; L308-W312 VanDerWaalsContact O-CG 3.23Å; L308-W312 PolarHBondContact O-N 3.2Å; L308-F376 HydrophobicContact CB-CD1 4.24Å; L308-F376 HydrophobicContact CB-CE1 3.85Å; L308-F376 HydrophobicContact CD1-CD1 4.1Å; L308-E379 HydrophobicContact CD1-CB 4.17Å; L308-E379 HydrophobicContact CD1-CG 3.66Å; L308-E379 HydrophobicContact CD2-CG 3.69Å; L308-E379 HydrophobicContact CG-CG 4.33Å; L308-L380 HydrophobicContact CD1-CD2 3.77Å; L308-L380 HydrophobicContact CD1-CG 4.18Å; L308-W392 HydrophobicContact CD1-CZ3 4.34Å; L308-W392 HydrophobicContact CD2-CH2 4.23Å; L308-W392 HydrophobicContact CD2-CZ3 4.31Å; L308-W392 HydrophobicContact CG-CH2 3.94Å; L308-W392 HydrophobicContact CG-CZ3 4.01Å
309	G	98.4	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-40.5	-179.7	0	0	0	0	0	112.2	L305 L306 G313	L305-G309 PolarHBondContact O-N 2.82Å; L306-G309 PolarHBondContact O-N 2.68Å; G309-G313 PolarHBondContact O-N 3.31Å
310	R	98.6	Very high	98.5	Very high	122 Å²	122	40.9 Å²	40.9	46%	0.46	21%	0.213	S	C	.	.	H	α-helix	trans	-67.5	-39.8	175.1	-71.9	168.3	178.6	155.9	2	112.1	L306 D307 L308 V317 E319	L306-R310 WeakPolarHBondContact O-CB 3.19Å; L306-R310 WeakPolarHBondContact O-CD 3.41Å; L306-R310 WeakPolarHBondContact O-CG 3.32Å; L306-R310 PolarHBondContact O-N 2.85Å; D307-R310 PolarHBondContact O-N 2.92Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 2.86Å; R310-V317 HydrophobicContact CG-CB 4.05Å; R310-V317 HydrophobicContact CG-CG1 4.16Å; R310-V317 HydrophobicContact CG-CG2 4.27Å; R310-E319 IonicContact CZ-OE1 3.28Å; R310-E319 IonicContact NH1-OE1 3.63Å; R310-E319 IonicContact NH2-OE1 2.74Å; R310-E319 PolarHBondContact NH2-OE1 3.3Å
311	T	98.3	Very high	98.5	Very high	119 Å²	119	44.9 Å²	44.9	73%	0.73	23%	0.23	S	C	*	.	H	α-helix	trans	-66.5	-38.7	177	-65	0	0	0	0	112.4	D307 L308	D307-T311 WeakPolarHBondContact O-CB 3.33Å; D307-T311 PolarHBondContact O-N 3.01Å; D307-T311 PolarHBondContact O-OG1 3.45Å; L308-T311 PolarHBondContact O-N 3.3Å
312	W	98.4	Very high	98.4	Very high	46 Å²	46	44.7 Å²	44.7	17%	0.174	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-39.6	177.6	-63.8	-24	0	0	0	112.3	L308 D314 F315 L372 R375 F376 E379	L308-W312 HydrophobicContact CB-CH2 4.4Å; L308-W312 HydrophobicContact CB-CZ2 4.14Å; L308-W312 HydrophobicContact CD1-CZ2 4.39Å; L308-W312 HydrophobicContact CD2-CZ2 4.44Å; L308-W312 VanDerWaalsContact O-CG 3.23Å; L308-W312 PolarHBondContact O-N 3.2Å; W312-D314 PolarHBondContact O-N 2.97Å; W312-D314 VanDerWaalsContact O-N 3.13Å; W312-F315 HydrophobicContact CE3-CE1 4.13Å; W312-F315 HydrophobicContact CE3-CZ 4.03Å; W312-F315 HydrophobicContact CZ3-CZ 4.42Å; W312-L372 HydrophobicContact CE3-CD1 4.47Å; W312-L372 HydrophobicContact CZ3-CD1 3.83Å; W312-R375 VanDerWaalsContact CD2-NH2 3.29Å; W312-R375 HydrophobicContact CH2-CB 4.28Å; W312-R375 HydrophobicContact CH2-CG 3.55Å; W312-R375 HydrophobicContact CZ2-CG 3.94Å; W312-R375 HydrophobicContact CZ3-CG 4.04Å; W312-F376 HydrophobicContact CE3-CE1 4.15Å; W312-F376 HydrophobicContact CE3-CZ 4.47Å; W312-F376 AromaticContact CH2-CD1 3.34Å; W312-F376 HydrophobicContact CH2-CD1 3.34Å; W312-F376 AromaticContact CH2-CE1 3.51Å; W312-F376 HydrophobicContact CH2-CE1 3.51Å; W312-F376 HydrophobicContact CH2-CG 4.06Å; W312-F376 HydrophobicContact CH2-CZ 4.33Å; W312-F376 HydrophobicContact CZ2-CD1 4.36Å; W312-F376 AromaticContact CZ3-CD1 3.6Å; W312-F376 HydrophobicContact CZ3-CD1 3.6Å; W312-F376 AromaticContact CZ3-CE1 3.29Å; W312-F376 HydrophobicContact CZ3-CE1 3.29Å; W312-F376 HydrophobicContact CZ3-CE2 4.35Å; W312-F376 HydrophobicContact CZ3-CG 4.25Å; W312-F376 AromaticContact CZ3-CZ 3.72Å; W312-F376 HydrophobicContact CZ3-CZ 3.72Å; W312-E379 HydrophobicContact CZ2-CB 4.16Å; W312-E379 HydrophobicContact CZ2-CG 4.07Å
313	G	97.6	Very high	98.4	Very high	58 Å²	58	45.3 Å²	45.3	60%	0.598	24%	0.235	S	C	*	.			trans	70	4.2	176	0	0	0	0	0	115.2	G309 F315	G309-G313 PolarHBondContact O-N 3.31Å; G313-F315 VanDerWaalsContact C-N 3.27Å; G313-F315 PolarHBondContact O-N 2.82Å
314	D	97.4	Very high	98.4	Very high	104 Å²	104	42.5 Å²	42.5	56%	0.556	22%	0.222	S	C	*	.	S	Bend	trans	-72.3	-18	-177	-60.7	-35.8	0	0	0	113.4	W312 R375	W312-D314 PolarHBondContact O-N 2.97Å; W312-D314 VanDerWaalsContact O-N 3.13Å; D314-R375 IonicContact OD2-CZ 3.72Å; D314-R375 IonicContact OD2-NH1 3.99Å; D314-R375 PolarHBondContact OD2-NH1 3.25Å; D314-R375 IonicContact OD2-NH2 2.62Å; D314-R375 PolarHBondContact OD2-NH2 2.77Å
315	F	98.4	Very high	98.4	Very high	20 Å²	20	49.8 Å²	49.8	9%	0.088	25%	0.253	C	S	.	.	S	Bend	trans	-153.5	161.9	-176.7	50.2	-96	0	0	0	110.9	Y277 R285 L287 W312 G313 V317 L372 F376	Y277-F315 HydrophobicContact CE2-CB 4.14Å; Y277-F315 HydrophobicContact CE2-CD1 4.24Å; Y277-F315 HydrophobicContact CE2-CD2 4.32Å; Y277-F315 AromaticContact CE2-CG 3.97Å; Y277-F315 HydrophobicContact CE2-CG 3.97Å; R285-F315 HydrophobicContact CB-CB 3.93Å; R285-F315 WeakPolarHBondContact O-CB 3.39Å; L287-F315 HydrophobicContact CB-CD2 3.84Å; L287-F315 HydrophobicContact CB-CE2 3.66Å; L287-F315 HydrophobicContact CD2-CE2 3.94Å; L287-F315 HydrophobicContact CG-CE2 4.43Å; W312-F315 HydrophobicContact CE3-CE1 4.13Å; W312-F315 HydrophobicContact CE3-CZ 4.03Å; W312-F315 HydrophobicContact CZ3-CZ 4.42Å; G313-F315 VanDerWaalsContact C-N 3.27Å; G313-F315 PolarHBondContact O-N 2.82Å; F315-V317 HydrophobicContact CD2-CG2 4.02Å; F315-V317 HydrophobicContact CE2-CG2 3.81Å; F315-L372 HydrophobicContact CE1-CD1 3.61Å; F315-L372 HydrophobicContact CE1-CD2 4.34Å; F315-L372 HydrophobicContact CE2-CD2 4.45Å; F315-L372 HydrophobicContact CZ-CD1 3.65Å; F315-L372 HydrophobicContact CZ-CD2 4.07Å; F315-F376 HydrophobicContact CZ-CZ 4.29Å
316	K	98.6	Very high	98.4	Very high	90 Å²	90	52.2 Å²	52.2	39%	0.391	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.5	178.2	-174.2	179.1	175	-143.3	0	110.6	R285 E286 L287 T318	R285-K316 PolarHBondContact O-N 2.86Å; E286-K316 CarbonylContact C-O 3.5Å; E286-K316 VanDerWaalsContact CA-O 3.25Å; E286-K316 WeakPolarHBondContact CA-O 3.5Å; E286-K316 HydrophobicContact CB-CB 4.19Å; E286-K316 HydrophobicContact CG-CB 4.04Å; E286-K316 HydrophobicContact CG-CD 4.23Å; E286-K316 HydrophobicContact CG-CG 4.15Å; E286-K316 WeakPolarHBondContact OE1-CD 3.41Å; E286-K316 VanDerWaalsContact OE1-CE 3.31Å; E286-K316 WeakPolarHBondContact OE1-CE 3.43Å; E286-K316 IonicContact OE1-NZ 3.85Å; E286-K316 PolarHBondContact OE1-NZ 2.81Å; L287-K316 PolarHBondContact N-O 2.83Å; K316-T318 VanDerWaalsContact CE-OG1 3.3Å; K316-T318 WeakPolarHBondContact CE-OG1 3.41Å
317	V	98.8	Very high	98.3	Very high	25 Å²	25	52.5 Å²	52.5	15%	0.152	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.4	175.5	179.7	0	0	0	0	109.4	L306 R310 F315	L306-V317 HydrophobicContact CD2-CG1 3.39Å; R310-V317 HydrophobicContact CG-CB 4.05Å; R310-V317 HydrophobicContact CG-CG1 4.16Å; R310-V317 HydrophobicContact CG-CG2 4.27Å; F315-V317 HydrophobicContact CD2-CG2 4.02Å; F315-V317 HydrophobicContact CE2-CG2 3.81Å
318	T	98.6	Very high	98.3	Very high	26 Å²	26	52 Å²	52	16%	0.16	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.9	-172.4	-54	0	0	0	0	111.9	E286 L287 V288 T289 K316 R320	E286-T318 VanDerWaalsContact OE1-CB 3.32Å; E286-T318 WeakPolarHBondContact OE1-CB 3.22Å; E286-T318 PolarHBondContact OE1-OG1 2.94Å; L287-T318 PolarHBondContact O-N 2.88Å; V288-T318 WeakPolarHBondContact CA-O 3.38Å; T289-T318 PolarHBondContact N-O 2.86Å; T289-T318 VanDerWaalsContact N-O 3.13Å; K316-T318 VanDerWaalsContact CE-OG1 3.3Å; K316-T318 WeakPolarHBondContact CE-OG1 3.41Å; T318-R320 HydrophobicContact CG2-CB 3.92Å; T318-R320 HydrophobicContact CG2-CG 3.78Å
319	E	98.8	Very high	98.3	Very high	68 Å²	68	56 Å²	56	32%	0.318	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	101.5	167.6	-65.3	178.4	-106.8	0	0	108.2	T289 P291 R302 L306 R310	T289-E319 HydrophobicContact CG2-CG 3.94Å; T289-E319 CarbonylContact O-C 3.59Å; T289-E319 VanDerWaalsContact O-CA 3.28Å; T289-E319 WeakPolarHBondContact O-CA 3.48Å; P291-E319 HydrophobicContact CB-CB 4.49Å; R302-E319 IonicContact CZ-OE2 2.7Å; R302-E319 VanDerWaalsContact CZ-OE2 3.25Å; R302-E319 IonicContact NH1-OE2 2.82Å; R302-E319 PolarHBondContact NH1-OE2 2.88Å; R302-E319 IonicContact NH2-OE2 2.68Å; R302-E319 PolarHBondContact NH2-OE2 3.05Å; L306-E319 HydrophobicContact CD1-CG 4.08Å; L306-E319 HydrophobicContact CD2-CG 4.22Å; R310-E319 IonicContact CZ-OE1 3.28Å; R310-E319 IonicContact NH1-OE1 3.63Å; R310-E319 IonicContact NH2-OE1 2.74Å; R310-E319 PolarHBondContact NH2-OE1 3.3Å
320	R	98.3	Very high	98.3	Very high	58 Å²	58	56 Å²	56	22%	0.219	28%	0.282	C	S	.	.			trans	-151.1	158.8	-178.8	69.2	170	-173	92.7	-4.2	112.1	V288 T289 T318 E326	V288-R320 HydrophobicContact CG1-CG 3.73Å; T289-R320 PolarHBondContact O-N 3.06Å; T318-R320 HydrophobicContact CG2-CB 3.92Å; T318-R320 HydrophobicContact CG2-CG 3.78Å; R320-E326 IonicContact CZ-OE1 2.6Å; R320-E326 VanDerWaalsContact CZ-OE1 3.29Å; R320-E326 IonicContact CZ-OE2 2.7Å; R320-E326 IonicContact NH1-OE1 3.9Å; R320-E326 PolarHBondContact NH1-OE1 3.22Å; R320-E326 IonicContact NH1-OE2 3.72Å; R320-E326 PolarHBondContact NH1-OE2 3.27Å; R320-E326 IonicContact NH2-OE1 3.7Å; R320-E326 PolarHBondContact NH2-OE1 2.86Å; R320-E326 IonicContact NH2-OE2 3.9Å
321	K	98.3	Very high	98.3	Very high	92 Å²	92	51.5 Å²	51.5	40%	0.4	27%	0.267	S	S	.	.			trans	-67.8	143.6	171.8	-68.4	162.9	161.5	-128.1	0	110	E265 P291 D293	E265-K321 VanDerWaalsContact OE1-CD 3.28Å; E265-K321 WeakPolarHBondContact OE1-CD 3.43Å; E265-K321 WeakPolarHBondContact OE1-CE 3.15Å; E265-K321 IonicContact OE1-NZ 2.68Å; E265-K321 PolarHBondContact OE1-NZ 2.95Å; E265-K321 WeakPolarHBondContact OE2-CE 3.32Å; E265-K321 IonicContact OE2-NZ 3.65Å; E265-K321 PolarHBondContact OE2-NZ 3.39Å; P291-K321 HydrophobicContact CG-CG 4.16Å; D293-K321 WeakPolarHBondContact OD2-CE 3.45Å
322	M	97.9	Very high	98.3	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.02	27%	0.266	C	S	.	.			trans	-141.6	124.1	172.3	-174.7	168	-149.7	0	0	107.5	I266 I276 W278 E326	I266-M322 WeakPolarHBondContact CB-O 3.02Å; I266-M322 PolarHBondContact N-O 2.82Å; I276-M322 HydrophobicContact CD1-CG 4.49Å; I276-M322 HydrophobicContact CD1-SD 3.43Å; I276-M322 WeakPolarHBondContact CD1-SD 3.34Å; I276-M322 HydrophobicContact CG2-SD 4.44Å; W278-M322 HydrophobicContact CD2-CE 4.24Å; W278-M322 HydrophobicContact CE3-CE 3.77Å; W278-M322 HydrophobicContact CH2-CE 3.9Å; W278-M322 HydrophobicContact CZ2-CE 4.38Å; W278-M322 HydrophobicContact CZ3-CE 3.53Å; M322-E326 HydrophobicContact CE-CB 4.29Å; M322-E326 HydrophobicContact CE-CG 3.73Å; M322-E326 HydrophobicContact CG-CB 4.22Å; M322-E326 HydrophobicContact CG-CG 4.34Å; M322-E326 WeakPolarHBondContact CG-OE2 3.46Å
323	G	98.3	Very high	98.3	Very high	14 Å²	14	53 Å²	53	14%	0.144	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-89.9	162.5	178.3	0	0	0	0	0	112.4	K325 E326 L327	G323-K325 VanDerWaalsContact C-N 3.25Å; G323-K325 PolarHBondContact O-N 3.34Å; G323-E326 PolarHBondContact O-N 3.04Å; G323-E326 VanDerWaalsContact O-N 3.15Å; G323-L327 PolarHBondContact O-N 2.8Å; G323-L327 VanDerWaalsContact O-N 3.13Å
324	M	98.4	Very high	98.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-54	-41.5	174.8	-85.1	-56.1	-54.9	0	0	112.8	L257 L259 E264 I266 E326 L327 L328 L354 Y356	L257-M324 HydrophobicContact CD2-SD 3.97Å; L259-M324 HydrophobicContact CD1-CG 3.87Å; L259-M324 HydrophobicContact CD2-CG 3.58Å; L259-M324 HydrophobicContact CD2-SD 3.99Å; L259-M324 HydrophobicContact CG-CG 4.39Å; E264-M324 HydrophobicContact CB-CB 4.17Å; E264-M324 HydrophobicContact CB-CG 4.23Å; E264-M324 PolarHBondContact O-N 3.2Å; I266-M324 HydrophobicContact CD1-SD 4.11Å; I266-M324 HydrophobicContact CG1-CG 4.41Å; I266-M324 HydrophobicContact CG1-SD 4.05Å; M324-E326 PolarHBondContact O-N 3.46Å; M324-L327 PolarHBondContact O-N 3.34Å; M324-L327 HydrophobicContact SD-CD2 4.36Å; M324-L328 HydrophobicContact CE-CD1 4.3Å; M324-L328 HydrophobicContact CE-CD2 4.15Å; M324-L328 HydrophobicContact CE-CG 4.09Å; M324-L328 VanDerWaalsContact O-CG 3.31Å; M324-L328 WeakPolarHBondContact O-CG 3.49Å; M324-L328 PolarHBondContact O-N 3.02Å; M324-L354 HydrophobicContact CE-CD2 3.49Å; M324-L354 VanDerWaalsContact CE-CD2 3.49Å; M324-L354 HydrophobicContact SD-CD2 3.99Å; M324-Y356 HydrophobicContact CE-CD1 3.85Å; M324-Y356 HydrophobicContact CE-CD2 4.06Å; M324-Y356 HydrophobicContact CE-CE1 4.16Å; M324-Y356 HydrophobicContact CE-CE2 4.35Å; M324-Y356 HydrophobicContact CE-CG 3.79Å; M324-Y356 HydrophobicContact CG-CE2 4.21Å
325	K	98.3	Very high	98.3	Very high	152 Å²	152	50.5 Å²	50.5	66%	0.661	27%	0.266	S	S	*	.	H	α-helix	trans	-56.3	-48.5	176.8	179.7	179	171.8	-178.1	0	112.2	G323 L327 L328 E329	G323-K325 VanDerWaalsContact C-N 3.25Å; G323-K325 PolarHBondContact O-N 3.34Å; K325-L327 PolarHBondContact O-N 2.94Å; K325-L328 PolarHBondContact O-N 3.46Å; K325-E329 WeakPolarHBondContact CE-OE1 3.4Å; K325-E329 IonicContact NZ-OE1 3Å; K325-E329 WeakPolarHBondContact O-CG 3.47Å; K325-E329 PolarHBondContact O-N 3.44Å
326	E	98.3	Very high	98.4	Very high	52 Å²	52	49.7 Å²	49.7	24%	0.243	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-40.5	-179.4	-170.4	-171.4	169	0	0	111.6	W278 R320 M322 G323 M324 A330	W278-E326 WeakPolarHBondContact CH2-OE1 3.42Å; R320-E326 IonicContact CZ-OE1 2.6Å; R320-E326 VanDerWaalsContact CZ-OE1 3.29Å; R320-E326 IonicContact CZ-OE2 2.7Å; R320-E326 IonicContact NH1-OE1 3.9Å; R320-E326 PolarHBondContact NH1-OE1 3.22Å; R320-E326 IonicContact NH1-OE2 3.72Å; R320-E326 PolarHBondContact NH1-OE2 3.27Å; R320-E326 IonicContact NH2-OE1 3.7Å; R320-E326 PolarHBondContact NH2-OE1 2.86Å; R320-E326 IonicContact NH2-OE2 3.9Å; M322-E326 HydrophobicContact CE-CB 4.29Å; M322-E326 HydrophobicContact CE-CG 3.73Å; M322-E326 HydrophobicContact CG-CB 4.22Å; M322-E326 HydrophobicContact CG-CG 4.34Å; M322-E326 WeakPolarHBondContact CG-OE2 3.46Å; G323-E326 PolarHBondContact O-N 3.04Å; G323-E326 VanDerWaalsContact O-N 3.15Å; M324-E326 PolarHBondContact O-N 3.46Å; E326-A330 WeakPolarHBondContact O-CB 3.23Å; E326-A330 PolarHBondContact O-N 3.47Å
327	L	98.4	Very high	98.3	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-45.9	176.2	176.2	63.7	0	0	0	111.4	I266 I276 G323 M324 K325 A330 L331 V336 L354	I266-L327 HydrophobicContact CD1-CB 3.87Å; I266-L327 HydrophobicContact CD1-CD2 3.6Å; I266-L327 HydrophobicContact CD1-CG 4.31Å; I276-L327 HydrophobicContact CD1-CD1 4.23Å; G323-L327 PolarHBondContact O-N 2.8Å; G323-L327 VanDerWaalsContact O-N 3.13Å; M324-L327 PolarHBondContact O-N 3.34Å; M324-L327 HydrophobicContact SD-CD2 4.36Å; K325-L327 PolarHBondContact O-N 2.94Å; L327-A330 WeakPolarHBondContact O-CB 3.39Å; L327-A330 PolarHBondContact O-N 3.41Å; L327-L331 HydrophobicContact CD1-CD1 4.38Å; L327-L331 HydrophobicContact CD1-CG 4.46Å; L327-L331 HydrophobicContact CG-CD1 4.11Å; L327-L331 WeakPolarHBondContact O-CG 3.35Å; L327-L331 PolarHBondContact O-N 3.25Å; L327-V336 HydrophobicContact CD1-CG2 3.93Å; L327-L354 HydrophobicContact CD2-CD2 4.38Å
328	L	98.4	Very high	98.3	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-43.9	-179.9	-65.8	-177	0	0	0	111.9	M324 K325 A330 L331 D332 Y356 Y361	M324-L328 HydrophobicContact CE-CD1 4.3Å; M324-L328 HydrophobicContact CE-CD2 4.15Å; M324-L328 HydrophobicContact CE-CG 4.09Å; M324-L328 VanDerWaalsContact O-CG 3.31Å; M324-L328 WeakPolarHBondContact O-CG 3.49Å; M324-L328 PolarHBondContact O-N 3.02Å; K325-L328 PolarHBondContact O-N 3.46Å; L328-A330 PolarHBondContact O-N 3.2Å; L328-L331 HydrophobicContact CD2-CD1 4.09Å; L328-L331 WeakPolarHBondContact O-CB 3.4Å; L328-L331 PolarHBondContact O-N 3.14Å; L328-L331 VanDerWaalsContact O-N 3.13Å; L328-D332 PolarHBondContact O-N 2.9Å; L328-Y356 HydrophobicContact CD1-CD1 4.02Å; L328-Y356 HydrophobicContact CD1-CE1 3.93Å; L328-Y361 HydrophobicContact CD1-CE1 4.19Å; L328-Y361 HydrophobicContact CD1-CE2 4.47Å; L328-Y361 HydrophobicContact CD2-CD1 3.51Å; L328-Y361 HydrophobicContact CD2-CD2 4.09Å; L328-Y361 HydrophobicContact CD2-CE1 3.53Å; L328-Y361 HydrophobicContact CD2-CE2 4.13Å; L328-Y361 HydrophobicContact CD2-CG 3.79Å; L328-Y361 HydrophobicContact CG-CE1 4.4Å
329	E	98.4	Very high	98.3	Very high	98 Å²	98	44.6 Å²	44.6	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-59.8	-36.1	173.7	-72.8	171.8	178.9	0	0	111.9	K325 A333	K325-E329 WeakPolarHBondContact CE-OE1 3.4Å; K325-E329 IonicContact NZ-OE1 3Å; K325-E329 WeakPolarHBondContact O-CG 3.47Å; K325-E329 PolarHBondContact O-N 3.44Å; E329-A333 VanDerWaalsContact O-CB 3.23Å; E329-A333 WeakPolarHBondContact O-CB 3.35Å; E329-A333 PolarHBondContact O-N 3.4Å; E329-A333 VanDerWaalsContact O-N 3.1Å
330	A	98.4	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-71.7	-35.6	175.2	0	0	0	0	0	113.1	W278 E326 L327 L328 G334 R335 V336	W278-A330 HydrophobicContact CE3-CB 3.65Å; W278-A330 HydrophobicContact CZ3-CB 3.73Å; E326-A330 WeakPolarHBondContact O-CB 3.23Å; E326-A330 PolarHBondContact O-N 3.47Å; L327-A330 WeakPolarHBondContact O-CB 3.39Å; L327-A330 PolarHBondContact O-N 3.41Å; L328-A330 PolarHBondContact O-N 3.2Å; A330-G334 PolarHBondContact O-N 3.3Å; A330-R335 HydrophobicContact CB-CB 4.35Å; A330-R335 PolarHBondContact O-N 2.99Å; A330-V336 HydrophobicContact CB-CG2 3.69Å
331	L	98.2	Very high	98.3	Very high	27 Å²	27	38.6 Å²	38.6	14%	0.141	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-48.8	174.2	-76.9	164.6	0	0	0	110.8	L327 L328 A333 G334 V336 I363	L327-L331 HydrophobicContact CD1-CD1 4.38Å; L327-L331 HydrophobicContact CD1-CG 4.46Å; L327-L331 HydrophobicContact CG-CD1 4.11Å; L327-L331 WeakPolarHBondContact O-CG 3.35Å; L327-L331 PolarHBondContact O-N 3.25Å; L328-L331 HydrophobicContact CD2-CD1 4.09Å; L328-L331 WeakPolarHBondContact O-CB 3.4Å; L328-L331 PolarHBondContact O-N 3.14Å; L328-L331 VanDerWaalsContact O-N 3.13Å; L331-A333 PolarHBondContact O-N 3.09Å; L331-G334 PolarHBondContact O-N 3.27Å; L331-V336 HydrophobicContact CD2-CB 3.79Å; L331-V336 HydrophobicContact CD2-CG1 4.08Å; L331-V336 HydrophobicContact CD2-CG2 3.94Å; L331-V336 HydrophobicContact CG-CB 4.33Å; L331-V336 HydrophobicContact CG-CG2 3.91Å; L331-I363 HydrophobicContact CD1-CD1 3.63Å; L331-I363 HydrophobicContact CD2-CD1 3.9Å; L331-I363 HydrophobicContact CG-CD1 4.4Å
332	D	98	Very high	98.2	Very high	133 Å²	133	34.2 Å²	34.2	71%	0.711	19%	0.193	S	C	*	.	H	α-helix	trans	-61.3	-35.4	178.7	-71.1	-17.1	0	0	0	111.6	L328 G334	L328-D332 PolarHBondContact O-N 2.9Å; D332-G334 VanDerWaalsContact C-N 3.27Å; D332-G334 PolarHBondContact O-N 3.39Å
333	A	98.1	Very high	98.1	Very high	63 Å²	63	34.6 Å²	34.6	52%	0.521	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1.5	175.2	0	0	0	0	0	114.5	E329 L331 R335	E329-A333 VanDerWaalsContact O-CB 3.23Å; E329-A333 WeakPolarHBondContact O-CB 3.35Å; E329-A333 PolarHBondContact O-N 3.4Å; E329-A333 VanDerWaalsContact O-N 3.1Å; L331-A333 PolarHBondContact O-N 3.09Å; A333-R335 VanDerWaalsContact C-N 3.25Å; A333-R335 HydrophobicContact CB-CG 4.03Å; A333-R335 PolarHBondContact O-N 3.37Å
334	G	98.1	Very high	97.8	Very high	60 Å²	60	35.7 Å²	35.7	62%	0.619	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	24.8	-178.7	0	0	0	0	0	114.4	A330 L331 D332	A330-G334 PolarHBondContact O-N 3.3Å; L331-G334 PolarHBondContact O-N 3.27Å; D332-G334 VanDerWaalsContact C-N 3.27Å; D332-G334 PolarHBondContact O-N 3.39Å
335	R	98.5	Very high	97.2	Very high	50 Å²	50	37 Å²	37	19%	0.189	21%	0.213	C	C	.	.			trans	-91.7	-21.3	-175.7	-68.1	-171.5	-64.2	118.6	-3.3	113.9	W278 T279 A330 A333	W278-R335 CarbonylContact C-O 3.56Å; W278-R335 VanDerWaalsContact CA-O 3.27Å; W278-R335 WeakPolarHBondContact CA-O 3.08Å; W278-R335 WeakPolarHBondContact CB-O 3.4Å; T279-R335 PolarHBondContact N-O 3.02Å; T279-R335 WeakPolarHBondContact O-CB 3.31Å; T279-R335 PolarHBondContact O-NH1 3.45Å; T279-R335 VanDerWaalsContact O-NH1 3.13Å; A330-R335 HydrophobicContact CB-CB 4.35Å; A330-R335 PolarHBondContact O-N 2.99Å; A333-R335 VanDerWaalsContact C-N 3.25Å; A333-R335 HydrophobicContact CB-CG 4.03Å; A333-R335 PolarHBondContact O-N 3.37Å
336	V	98.7	Very high	96.7	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.6	176.9	179.5	0	0	0	0	110	L327 A330 L331 V339 P364	L327-V336 HydrophobicContact CD1-CG2 3.93Å; A330-V336 HydrophobicContact CB-CG2 3.69Å; L331-V336 HydrophobicContact CD2-CB 3.79Å; L331-V336 HydrophobicContact CD2-CG1 4.08Å; L331-V336 HydrophobicContact CD2-CG2 3.94Å; L331-V336 HydrophobicContact CG-CB 4.33Å; L331-V336 HydrophobicContact CG-CG2 3.91Å; V336-V339 HydrophobicContact CG1-CG2 3.75Å; V336-P364 VanDerWaalsContact O-CG 3.22Å; V336-P364 WeakPolarHBondContact O-CG 3.27Å
337	L	98.4	Very high	96.3	Very high	21 Å²	21	28.1 Å²	28.1	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-55.6	-179.4	-52.4	170.5	0	0	0	110.9	Y277 R285 P364 T365 N368	Y277-L337 HydrophobicContact CD1-CB 3.95Å; Y277-L337 HydrophobicContact CD1-CD1 3.69Å; Y277-L337 HydrophobicContact CD1-CG 4.47Å; Y277-L337 HydrophobicContact CE1-CB 4.49Å; Y277-L337 HydrophobicContact CE1-CD1 3.52Å; Y277-L337 HydrophobicContact CG-CD1 4.39Å; Y277-L337 WeakPolarHBondContact O-CA 3.38Å; Y277-L337 WeakPolarHBondContact O-CB 3.25Å; Y277-L337 PolarHBondContact O-N 3.3Å; R285-L337 VanDerWaalsContact NH1-CD2 3.31Å; L337-P364 CarbonylContact O-C 3.58Å; L337-T365 WeakPolarHBondContact O-CA 3.32Å; L337-N368 WeakPolarHBondContact CA-ND2 3.48Å; L337-N368 PolarHBondContact O-ND2 2.94Å
338	E	98.4	Very high	96.1	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.028	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.5	-177.2	-56.1	176	-144.1	0	0	109.9	Y277 F340 T365 P370 D371 L372 A373	Y277-E338 HydrophobicContact CD1-CG 4.42Å; Y277-E338 PolarHBondContact N-O 2.78Å; Y277-E338 PolarHBondContact O-N 3.22Å; E338-F340 HydrophobicContact CB-CD1 4.2Å; E338-F340 HydrophobicContact CB-CE1 4.31Å; E338-T365 HydrophobicContact CB-CG2 4.13Å; E338-T365 HydrophobicContact CG-CG2 4.46Å; E338-P370 VanDerWaalsContact CD-CA 3.5Å; E338-P370 HydrophobicContact CG-CB 4.07Å; E338-P370 WeakPolarHBondContact OE2-CB 3.47Å; E338-D371 PolarHBondContact OE1-N 2.87Å; E338-D371 VanDerWaalsContact OE1-N 3.12Å; E338-L372 WeakPolarHBondContact OE1-CB 3.27Å; E338-L372 PolarHBondContact OE1-N 3.01Å; E338-L372 PolarHBondContact OE2-N 3.27Å; E338-A373 WeakPolarHBondContact OE2-CB 3.45Å; E338-A373 PolarHBondContact OE2-N 2.66Å
339	V	98.6	Very high	95.9	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.3	168.6	-176.3	0	0	0	0	107.7	L274 F275 I276 V336 V351 I363 T365	L274-V339 HydrophobicContact CD2-CG1 3.55Å; F275-V339 WeakPolarHBondContact O-CA 3.46Å; I276-V339 HydrophobicContact CG1-CG1 4.17Å; I276-V339 HydrophobicContact CG1-CG2 4.18Å; I276-V339 HydrophobicContact CG2-CG2 4.43Å; V336-V339 HydrophobicContact CG1-CG2 3.75Å; V339-V351 HydrophobicContact CB-CB 4.1Å; V339-V351 HydrophobicContact CG1-CB 4.09Å; V339-V351 HydrophobicContact CG1-CG2 4.06Å; V339-V351 WeakPolarHBondContact O-CB 3.27Å; V339-V351 PolarHBondContact O-N 2.96Å; V339-I363 HydrophobicContact CB-CG2 3.81Å; V339-I363 HydrophobicContact CG2-CG2 3.52Å; V339-T365 PolarHBondContact N-OG1 3.38Å; V339-T365 PolarHBondContact O-OG1 3.12Å
340	F	98.3	Very high	95.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.1	-178.8	52.1	-93.9	0	0	0	112.8	F275 L287 L305 E338 V348 C349 A373 F376	F275-F340 HydrophobicContact CB-CD2 3.8Å; F275-F340 HydrophobicContact CB-CE1 4.38Å; F275-F340 HydrophobicContact CB-CE2 3.4Å; F275-F340 HydrophobicContact CB-CG 4.45Å; F275-F340 HydrophobicContact CB-CZ 3.72Å; F275-F340 HydrophobicContact CD2-CD2 4.48Å; F275-F340 HydrophobicContact CD2-CE2 4.12Å; F275-F340 HydrophobicContact CG-CD2 4.43Å; F275-F340 AromaticContact CG-CE2 3.81Å; F275-F340 HydrophobicContact CG-CE2 3.81Å; F275-F340 HydrophobicContact CG-CZ 4.36Å; F275-F340 PolarHBondContact N-O 2.79Å; F275-F340 PolarHBondContact O-N 2.65Å; L287-F340 HydrophobicContact CD1-CZ 3.98Å; L305-F340 HydrophobicContact CD1-CE2 3.86Å; E338-F340 HydrophobicContact CB-CD1 4.2Å; E338-F340 HydrophobicContact CB-CE1 4.31Å; F340-V348 HydrophobicContact CB-CG1 3.87Å; F340-V348 HydrophobicContact CD2-CG1 3.65Å; F340-V348 HydrophobicContact CE2-CG1 4.37Å; F340-V348 HydrophobicContact CG-CG1 3.84Å; F340-C349 CarbonylContact C-O 3.59Å; F340-C349 WeakPolarHBondContact CA-O 3.46Å; F340-C349 VanDerWaalsContact CB-O 3.3Å; F340-C349 WeakPolarHBondContact CB-O 3.35Å; F340-A373 HydrophobicContact CD1-CB 3.86Å; F340-A373 HydrophobicContact CE1-CB 4.19Å; F340-A373 HydrophobicContact CG-CB 4.25Å; F340-F376 HydrophobicContact CE2-CD2 4.33Å; F340-F376 AromaticContact CZ-CD2 3.98Å; F340-F376 HydrophobicContact CZ-CD2 3.98Å; F340-F376 HydrophobicContact CZ-CE2 4.05Å
341	G	97.7	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	151.3	166.6	0	0	0	0	0	111.6	N273 V348 C349	N273-G341 CarbonylContact O-C 3.56Å; N273-G341 VanDerWaalsContact O-CA 3.25Å; N273-G341 WeakPolarHBondContact O-CA 3.44Å; G341-V348 CarbonylContact O-C 3.52Å; G341-V348 WeakPolarHBondContact O-CA 3.41Å; G341-C349 PolarHBondContact N-O 2.78Å; G341-C349 PolarHBondContact O-N 3.17Å
342	A	97.6	Very high	95.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.2	175	0	0	0	0	0	111.2	N273 F275 T301 L305 V347	N273-A342 PolarHBondContact N-O 3.4Å; N273-A342 PolarHBondContact O-N 2.87Å; F275-A342 HydrophobicContact CD2-CB 3.92Å; F275-A342 HydrophobicContact CE2-CB 3.76Å; T301-A342 HydrophobicContact CG2-CB 4.15Å; L305-A342 HydrophobicContact CD1-CB 3.74Å; A342-V347 WeakPolarHBondContact CA-O 3.45Å
343	G	94.8	Very high	95.6	Very high	12 Å²	12	15.9 Å²	15.9	12%	0.124	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	163	179.4	0	0	0	0	0	113.6	T301 A345 V347	T301-G343 VanDerWaalsContact OG1-C 3.29Å; G343-A345 VanDerWaalsContact C-N 3.26Å; G343-A345 PolarHBondContact O-N 3.42Å; G343-V347 PolarHBondContact N-O 3.06Å; G343-V347 WeakPolarHBondContact O-CA 3.49Å; G343-V347 PolarHBondContact O-N 2.82Å
344	T	92	Very high	95.6	Very high	36 Å²	36	13 Å²	13	22%	0.221	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.1	-174.2	-54.5	0	0	0	0	113.7	G108 K110 Y172 T301	G108-T344 PolarHBondContact O-OG1 3.33Å; G108-T344 VanDerWaalsContact O-OG1 3.09Å; K110-T344 HydrophobicContact CD-CG2 3.96Å; K110-T344 WeakPolarHBondContact CD-O 3.43Å; K110-T344 WeakPolarHBondContact CE-O 3.09Å; K110-T344 HydrophobicContact CG-CG2 3.87Å; K110-T344 PolarHBondContact NZ-O 3.47Å; Y172-T344 HydrophobicContact CE2-CG2 4.2Å; T301-T344 PolarHBondContact OG1-N 2.86Å
345	A	86.5	Confident	95.6	Very high	28 Å²	28	11.2 Å²	11.2	23%	0.231	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-51.5	-174.5	0	0	0	0	0	112.5	F60 K110 Y204 G343	F60-A345 HydrophobicContact CE2-CB 4.28Å; K110-A345 PolarHBondContact NZ-O 3.36Å; Y204-A345 HydrophobicContact CD2-CB 4.09Å; Y204-A345 HydrophobicContact CE2-CB 4.29Å; G343-A345 VanDerWaalsContact C-N 3.26Å; G343-A345 PolarHBondContact O-N 3.42Å
346	C	86.9	Confident	95.6	Very high	8 Å²	8	9.5 Å²	9.5	5%	0.054	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-9.6	-175	56.1	0	0	0	0	114.5	Y204 M272 V348 C349	Y204-C346 HydrophobicContact CD1-CB 3.86Å; Y204-C346 HydrophobicContact CD2-CB 4.36Å; Y204-C346 HydrophobicContact CG-CB 3.76Å; M272-C346 PolarHBondContact SD-SG 3.38Å; C346-V348 PolarHBondContact O-N 3.07Å; C346-C349 HydrophobicContact CB-CB 4.28Å
347	V	91.1	Very high	95.6	Very high	9 Å²	9	17.8 Å²	17.8	6%	0.055	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64	-71.4	-165.5	-169	0	0	0	0	111.2	T301 A342 G343 Y377 L380	T301-V347 HydrophobicContact CG2-CG1 4.4Å; T301-V347 WeakPolarHBondContact CG2-O 3.36Å; A342-V347 WeakPolarHBondContact CA-O 3.45Å; G343-V347 PolarHBondContact N-O 3.06Å; G343-V347 WeakPolarHBondContact O-CA 3.49Å; G343-V347 PolarHBondContact O-N 2.82Å; V347-Y377 HydrophobicContact CB-CD2 3.96Å; V347-Y377 HydrophobicContact CB-CE2 4.19Å; V347-Y377 HydrophobicContact CG1-CD2 4.27Å; V347-Y377 HydrophobicContact CG2-CE2 4.43Å; V347-L380 HydrophobicContact CG1-CB 3.97Å; V347-L380 HydrophobicContact CG1-CD1 3.52Å; V347-L380 HydrophobicContact CG1-CG 4.38Å
348	V	92.9	Very high	95.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.5	175.3	-179.6	0	0	0	0	109	F210 L305 F340 G341 C346 A373 F376	F210-V348 HydrophobicContact CE1-CG1 4.07Å; F210-V348 HydrophobicContact CZ-CB 4.11Å; F210-V348 HydrophobicContact CZ-CG1 4.11Å; L305-V348 HydrophobicContact CD1-CG2 4.35Å; F340-V348 HydrophobicContact CB-CG1 3.87Å; F340-V348 HydrophobicContact CD2-CG1 3.65Å; F340-V348 HydrophobicContact CE2-CG1 4.37Å; F340-V348 HydrophobicContact CG-CG1 3.84Å; G341-V348 CarbonylContact O-C 3.52Å; G341-V348 WeakPolarHBondContact O-CA 3.41Å; C346-V348 PolarHBondContact O-N 3.07Å; V348-A373 HydrophobicContact CG1-CB 3.81Å; V348-F376 HydrophobicContact CG2-CB 4.15Å
349	C	94.3	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	105.9	-178.3	178.6	0	0	0	0	109.8	F205 M272 F340 G341 C346	F205-C349 HydrophobicContact CZ-CB 4.23Å; M272-C349 HydrophobicContact CE-CB 4.01Å; M272-C349 HydrophobicContact SD-CB 3.63Å; F340-C349 CarbonylContact C-O 3.59Å; F340-C349 WeakPolarHBondContact CA-O 3.46Å; F340-C349 VanDerWaalsContact CB-O 3.3Å; F340-C349 WeakPolarHBondContact CB-O 3.35Å; G341-C349 PolarHBondContact N-O 2.78Å; G341-C349 PolarHBondContact O-N 3.17Å; C346-C349 HydrophobicContact CB-CB 4.28Å
350	P	95.8	Very high	95.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	150	179.7	28.2	-35.4	0	0	0	111.9	F210 P212 V213 T365 M366	F210-P350 HydrophobicContact CB-CG 4.31Å; F210-P350 HydrophobicContact CD1-CB 4Å; F210-P350 HydrophobicContact CD1-CG 3.49Å; F210-P350 VanDerWaalsContact CD1-CG 3.49Å; F210-P350 HydrophobicContact CE1-CB 4.47Å; F210-P350 HydrophobicContact CE1-CG 4.18Å; F210-P350 HydrophobicContact CG-CG 4.23Å; P212-P350 WeakPolarHBondContact CA-O 3.14Å; V213-P350 WeakPolarHBondContact CG2-O 3.42Å; V213-P350 PolarHBondContact N-O 3.44Å; P350-T365 HydrophobicContact CB-CG2 3.83Å; P350-M366 HydrophobicContact CB-SD 3.9Å; P350-M366 HydrophobicContact CG-SD 4.18Å
351	V	96.9	Very high	95.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.6	174.6	177.3	0	0	0	0	109	V213 L215 V339 I363 T365	V213-V351 HydrophobicContact CG2-CG2 4.22Å; L215-V351 HydrophobicContact CD1-CB 4.43Å; L215-V351 HydrophobicContact CD1-CG1 3.67Å; L215-V351 HydrophobicContact CD1-CG2 3.83Å; L215-V351 HydrophobicContact CG-CG1 3.81Å; L215-V351 HydrophobicContact CG-CG2 4.34Å; V339-V351 HydrophobicContact CB-CB 4.1Å; V339-V351 HydrophobicContact CG1-CB 4.09Å; V339-V351 HydrophobicContact CG1-CG2 4.06Å; V339-V351 WeakPolarHBondContact O-CB 3.27Å; V339-V351 PolarHBondContact O-N 2.96Å; V351-I363 HydrophobicContact CG1-CG1 4.07Å; V351-T365 WeakPolarHBondContact O-CB 3.42Å; V351-T365 PolarHBondContact O-OG1 3.35Å
352	G	96.8	Very high	95.5	Very high	12 Å²	12	36.8 Å²	36.8	12%	0.124	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-29.8	-179.3	0	0	0	0	0	113.9	V213 I363	V213-G352 PolarHBondContact O-N 2.9Å; G352-I363 PolarHBondContact O-N 3.35Å
353	S	97.9	Very high	95.5	Very high	14 Å²	14	36.9 Å²	36.9	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.7	178.4	65.7	0	0	0	0	112.9	S214 L215 Y361	S214-S353 WeakPolarHBondContact CA-O 3.11Å; S214-S353 VanDerWaalsContact CB-OG 3.28Å; S214-S353 WeakPolarHBondContact CB-OG 3.42Å; S214-S353 PolarHBondContact OG-OG 3.46Å; L215-S353 PolarHBondContact N-O 2.8Å; S353-Y361 CarbonylContact C-O 3.57Å; S353-Y361 VanDerWaalsContact CA-O 3.26Å; S353-Y361 WeakPolarHBondContact CA-O 3.37Å; S353-Y361 WeakPolarHBondContact CB-O 3.37Å
354	L	97.6	Very high	95.7	Very high	3 Å²	3	38 Å²	38	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	121.3	-179.5	-179.3	68.2	0	0	0	109.7	L215 A217 L257 M324 L327 T360 Y361 I363	L215-L354 HydrophobicContact CB-CD1 3.66Å; L215-L354 CarbonylContact O-C 3.51Å; L215-L354 WeakPolarHBondContact O-CA 3.24Å; A217-L354 HydrophobicContact CB-CD1 3.55Å; A217-L354 HydrophobicContact CB-CD2 4.5Å; A217-L354 HydrophobicContact CB-CG 4.18Å; L257-L354 HydrophobicContact CB-CD1 4.02Å; L257-L354 HydrophobicContact CD2-CD1 3.65Å; L257-L354 HydrophobicContact CD2-CD2 4.15Å; L257-L354 HydrophobicContact CG-CD1 4.47Å; M324-L354 HydrophobicContact CE-CD2 3.49Å; M324-L354 VanDerWaalsContact CE-CD2 3.49Å; M324-L354 HydrophobicContact SD-CD2 3.99Å; L327-L354 HydrophobicContact CD2-CD2 4.38Å; L354-T360 CarbonylContact O-C 3.55Å; L354-T360 WeakPolarHBondContact O-CA 3.35Å; L354-Y361 PolarHBondContact N-O 3Å; L354-Y361 PolarHBondContact O-N 2.97Å; L354-I363 HydrophobicContact CB-CD1 4.45Å
355	L	98.7	Very high	95.9	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.4	169.3	-178.7	59.2	0	0	0	109	L215 L216 A217 Q251	L215-L355 PolarHBondContact O-N 2.91Å; L216-L355 HydrophobicContact CD1-CD2 4.19Å; L216-L355 HydrophobicContact CD1-CG 4.35Å; A217-L355 PolarHBondContact N-O 2.73Å; Q251-L355 HydrophobicContact CB-CD2 3.76Å
356	Y	98.6	Very high	96.3	Very high	15 Å²	15	38.2 Å²	38.2	6%	0.059	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	124.5	-177.7	173.7	-111.2	0	0	0	110.2	A217 L259 E264 M324 L328 G358 K359 Y361	A217-Y356 HydrophobicContact CB-CD2 3.92Å; A217-Y356 HydrophobicContact CB-CG 4.47Å; A217-Y356 WeakPolarHBondContact O-CD2 3.47Å; L259-Y356 HydrophobicContact CD1-CD2 4.42Å; L259-Y356 HydrophobicContact CD1-CE2 4.13Å; E264-Y356 WeakPolarHBondContact OE2-CE2 3.44Å; E264-Y356 PolarHBondContact OE2-OH 3.42Å; M324-Y356 HydrophobicContact CE-CD1 3.85Å; M324-Y356 HydrophobicContact CE-CD2 4.06Å; M324-Y356 HydrophobicContact CE-CE1 4.16Å; M324-Y356 HydrophobicContact CE-CE2 4.35Å; M324-Y356 HydrophobicContact CE-CG 3.79Å; M324-Y356 HydrophobicContact CG-CE2 4.21Å; L328-Y356 HydrophobicContact CD1-CD1 4.02Å; L328-Y356 HydrophobicContact CD1-CE1 3.93Å; Y356-G358 VanDerWaalsContact C-N 3.27Å; Y356-G358 PolarHBondContact O-N 3.13Å; Y356-K359 PolarHBondContact N-O 3.14Å; Y356-K359 PolarHBondContact O-N 3.49Å; Y356-K359 VanDerWaalsContact O-O 3.09Å; Y356-Y361 HydrophobicContact CD1-CE2 4.01Å
357	R	97.3	Very high	96.6	Very high	177 Å²	177	44.3 Å²	44.3	67%	0.668	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	45.4	-178.1	-62	-178.1	177	-178.5	2.6	113.3	E264 K359	E264-R357 IonicContact OE1-CZ 3.36Å; E264-R357 IonicContact OE1-NE 2.75Å; E264-R357 IonicContact OE1-NH2 3.46Å; E264-R357 PolarHBondContact OE1-NH2 2.8Å; E264-R357 IonicContact OE2-NH2 3.86Å; R357-K359 PolarHBondContact O-N 2.73Å
358	G	96.6	Very high	96.7	Very high	76 Å²	76	47 Å²	47	78%	0.784	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	-0.6	179.3	0	0	0	0	0	115.4	Y356	Y356-G358 VanDerWaalsContact C-N 3.27Å; Y356-G358 PolarHBondContact O-N 3.13Å
359	K	98.3	Very high	96.5	Very high	116 Å²	116	48.2 Å²	48.2	50%	0.504	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.8	175.9	-178.9	172.2	167.8	-167.6	0	110.5	Y356 R357 Y361	Y356-K359 PolarHBondContact N-O 3.14Å; Y356-K359 PolarHBondContact O-N 3.49Å; Y356-K359 VanDerWaalsContact O-O 3.09Å; R357-K359 PolarHBondContact O-N 2.73Å; K359-Y361 HydrophobicContact CB-CE2 3.91Å; K359-Y361 HydrophobicContact CD-CE1 4.02Å; K359-Y361 HydrophobicContact CD-CE2 4.12Å; K359-Y361 HydrophobicContact CG-CD2 4.37Å; K359-Y361 HydrophobicContact CG-CE1 4.48Å; K359-Y361 HydrophobicContact CG-CE2 3.88Å
360	T	98.5	Very high	96.3	Very high	77 Å²	77	48.2 Å²	48.2	47%	0.472	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.2	171.4	-60.3	0	0	0	0	109.9	L354	L354-T360 CarbonylContact O-C 3.55Å; L354-T360 WeakPolarHBondContact O-CA 3.35Å
361	Y	98.4	Very high	96.3	Very high	41 Å²	41	53.6 Å²	53.6	16%	0.161	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.3	172.5	-61.9	-94.5	0	0	0	108.9	L328 S353 L354 Y356 K359	L328-Y361 HydrophobicContact CD1-CE1 4.19Å; L328-Y361 HydrophobicContact CD1-CE2 4.47Å; L328-Y361 HydrophobicContact CD2-CD1 3.51Å; L328-Y361 HydrophobicContact CD2-CD2 4.09Å; L328-Y361 HydrophobicContact CD2-CE1 3.53Å; L328-Y361 HydrophobicContact CD2-CE2 4.13Å; L328-Y361 HydrophobicContact CD2-CG 3.79Å; L328-Y361 HydrophobicContact CG-CE1 4.4Å; S353-Y361 CarbonylContact C-O 3.57Å; S353-Y361 VanDerWaalsContact CA-O 3.26Å; S353-Y361 WeakPolarHBondContact CA-O 3.37Å; S353-Y361 WeakPolarHBondContact CB-O 3.37Å; L354-Y361 PolarHBondContact N-O 3Å; L354-Y361 PolarHBondContact O-N 2.97Å; Y356-Y361 HydrophobicContact CD1-CE2 4.01Å; K359-Y361 HydrophobicContact CB-CE2 3.91Å; K359-Y361 HydrophobicContact CD-CE1 4.02Å; K359-Y361 HydrophobicContact CD-CE2 4.12Å; K359-Y361 HydrophobicContact CG-CD2 4.37Å; K359-Y361 HydrophobicContact CG-CE1 4.48Å; K359-Y361 HydrophobicContact CG-CE2 3.88Å
362	Q	98.2	Very high	96.3	Very high	124 Å²	124	54 Å²	54	58%	0.579	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.1	174	-61.2	-58.5	-34.6	0	0	109.1
363	I	98.1	Very high	96.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	28%	0.283	C	S	.	.			trans	-102.9	123.3	175.3	-53	-57.9	0	0	0	107.5	L331 V339 V351 G352 L354 T365	L331-I363 HydrophobicContact CD1-CD1 3.63Å; L331-I363 HydrophobicContact CD2-CD1 3.9Å; L331-I363 HydrophobicContact CG-CD1 4.4Å; V339-I363 HydrophobicContact CB-CG2 3.81Å; V339-I363 HydrophobicContact CG2-CG2 3.52Å; V351-I363 HydrophobicContact CG1-CG1 4.07Å; G352-I363 PolarHBondContact O-N 3.35Å; L354-I363 HydrophobicContact CB-CD1 4.45Å; I363-T365 WeakPolarHBondContact CG2-OG1 3.43Å; I363-T365 PolarHBondContact O-N 3.37Å
364	P	97.4	Very high	96.2	Very high	36 Å²	36	57.5 Å²	57.5	23%	0.234	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	19.4	-168.6	34.2	-38.7	0	0	0	113.9	V336 L337 M366 Q367 N368	V336-P364 VanDerWaalsContact O-CG 3.22Å; V336-P364 WeakPolarHBondContact O-CG 3.27Å; L337-P364 CarbonylContact O-C 3.58Å; P364-M366 VanDerWaalsContact C-N 3.31Å; P364-M366 PolarHBondContact O-N 3.14Å; P364-Q367 HydrophobicContact CB-CB 4.46Å; P364-Q367 PolarHBondContact O-N 3.27Å; P364-Q367 VanDerWaalsContact O-N 3.17Å; P364-Q367 PolarHBondContact O-OE1 3.05Å; P364-N368 PolarHBondContact O-N 2.8Å; P364-N368 PolarHBondContact O-ND2 3.37Å
365	T	96.9	Very high	96.1	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-49.4	-175.5	-55.6	0	0	0	0	111.4	L337 E338 V339 P350 V351 I363 N368 P370	L337-T365 WeakPolarHBondContact O-CA 3.32Å; E338-T365 HydrophobicContact CB-CG2 4.13Å; E338-T365 HydrophobicContact CG-CG2 4.46Å; V339-T365 PolarHBondContact N-OG1 3.38Å; V339-T365 PolarHBondContact O-OG1 3.12Å; P350-T365 HydrophobicContact CB-CG2 3.83Å; V351-T365 WeakPolarHBondContact O-CB 3.42Å; V351-T365 PolarHBondContact O-OG1 3.35Å; I363-T365 WeakPolarHBondContact CG2-OG1 3.43Å; I363-T365 PolarHBondContact O-N 3.37Å; T365-N368 PolarHBondContact O-N 3.24Å; T365-P370 HydrophobicContact CG2-CB 3.75Å; T365-P370 HydrophobicContact CG2-CG 4.35Å; T365-P370 WeakPolarHBondContact O-CB 3.44Å; T365-P370 VanDerWaalsContact O-CD 3.25Å; T365-P370 WeakPolarHBondContact O-CD 3.48Å
366	M	94.9	Very high	96.1	Very high	67 Å²	67	61 Å²	61	33%	0.33	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-32.2	-176.6	-60.4	-48.2	-63.3	0	0	113	F210 P212 P350 P364 N368 G369 P370	F210-M366 HydrophobicContact CB-CE 4.33Å; F210-M366 VanDerWaalsContact O-CE 3.22Å; F210-M366 WeakPolarHBondContact O-CE 3.27Å; P212-M366 HydrophobicContact CB-CG 3.93Å; P212-M366 HydrophobicContact CB-SD 4.39Å; P212-M366 HydrophobicContact CG-CG 3.76Å; P212-M366 HydrophobicContact CG-SD 4.49Å; P350-M366 HydrophobicContact CB-SD 3.9Å; P350-M366 HydrophobicContact CG-SD 4.18Å; P364-M366 VanDerWaalsContact C-N 3.31Å; P364-M366 PolarHBondContact O-N 3.14Å; M366-N368 PolarHBondContact O-N 3.05Å; M366-G369 PolarHBondContact O-N 2.85Å; M366-P370 HydrophobicContact CE-CG 4.19Å; M366-P370 HydrophobicContact SD-CG 3.89Å
367	Q	94.3	Very high	96	Very high	136 Å²	136	64 Å²	64	64%	0.636	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-25.8	177.5	-64.7	78.9	-3.6	0	0	111.6	P364	P364-Q367 HydrophobicContact CB-CB 4.46Å; P364-Q367 PolarHBondContact O-N 3.27Å; P364-Q367 VanDerWaalsContact O-N 3.17Å; P364-Q367 PolarHBondContact O-OE1 3.05Å
368	N	92.9	Very high	95.9	Very high	67 Å²	67	61.4 Å²	61.4	36%	0.358	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	15	176.9	-70.2	-51.6	0	0	0	114.3	L337 P364 T365 M366	L337-N368 WeakPolarHBondContact CA-ND2 3.48Å; L337-N368 PolarHBondContact O-ND2 2.94Å; P364-N368 PolarHBondContact O-N 2.8Å; P364-N368 PolarHBondContact O-ND2 3.37Å; T365-N368 PolarHBondContact O-N 3.24Å; M366-N368 PolarHBondContact O-N 3.05Å
369	G	88.8	Confident	96	Very high	25 Å²	25	59.2 Å²	59.2	26%	0.258	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-4	173.4	0	0	0	0	0	116.6	M366 D371 K374	M366-G369 PolarHBondContact O-N 2.85Å; G369-D371 VanDerWaalsContact C-N 3.3Å; G369-K374 WeakPolarHBondContact O-CD 3.36Å; G369-K374 WeakPolarHBondContact O-CE 3.48Å; G369-K374 PolarHBondContact O-NZ 2.88Å
370	P	90.5	Very high	95.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn		-24.5	85.5	-112.3	32.6	-43	0	0	0	115.1	F210 E338 T365 M366 L372 A373 K374	F210-P370 HydrophobicContact CD1-CG 4.16Å; E338-P370 VanDerWaalsContact CD-CA 3.5Å; E338-P370 HydrophobicContact CG-CB 4.07Å; E338-P370 WeakPolarHBondContact OE2-CB 3.47Å; T365-P370 HydrophobicContact CG2-CB 3.75Å; T365-P370 HydrophobicContact CG2-CG 4.35Å; T365-P370 WeakPolarHBondContact O-CB 3.44Å; T365-P370 VanDerWaalsContact O-CD 3.25Å; T365-P370 WeakPolarHBondContact O-CD 3.48Å; M366-P370 HydrophobicContact CE-CG 4.19Å; M366-P370 HydrophobicContact SD-CG 3.89Å; P370-L372 PolarHBondContact O-N 2.95Å; P370-A373 HydrophobicContact CB-CB 3.95Å; P370-K374 WeakPolarHBondContact O-CB 3.3Å; P370-K374 VanDerWaalsContact O-CG 3.31Å; P370-K374 WeakPolarHBondContact O-CG 3.44Å; P370-K374 PolarHBondContact O-N 3.07Å
371	D	94.5	Very high	95.8	Very high	113 Å²	113	50.5 Å²	50.5	60%	0.604	24%	0.241	S	C	*	.	H	α-helix	trans	-66	-38.8	-172.9	-69.2	-20	0	0	0	112.6	E338 G369 R375	E338-D371 PolarHBondContact OE1-N 2.87Å; E338-D371 VanDerWaalsContact OE1-N 3.12Å; G369-D371 VanDerWaalsContact C-N 3.3Å; D371-R375 VanDerWaalsContact O-CB 3.28Å; D371-R375 WeakPolarHBondContact O-CB 3.42Å; D371-R375 PolarHBondContact O-N 3.3Å
372	L	97.6	Very high	95.8	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-71.2	-44.9	-179.6	-175.7	61.6	0	0	0	111.3	Y277 L287 W312 F315 E338 P370 K374 R375 F376	Y277-L372 HydrophobicContact CD1-CB 4.12Å; Y277-L372 HydrophobicContact CD1-CD2 3.75Å; Y277-L372 HydrophobicContact CD2-CD2 3.48Å; Y277-L372 VanDerWaalsContact CD2-CD2 3.48Å; Y277-L372 HydrophobicContact CE1-CB 4.35Å; Y277-L372 HydrophobicContact CE1-CD2 4.15Å; Y277-L372 HydrophobicContact CE2-CD2 3.9Å; Y277-L372 HydrophobicContact CG-CD2 3.42Å; Y277-L372 VanDerWaalsContact CG-CD2 3.42Å; L287-L372 HydrophobicContact CD1-CD2 4.06Å; W312-L372 HydrophobicContact CE3-CD1 4.47Å; W312-L372 HydrophobicContact CZ3-CD1 3.83Å; F315-L372 HydrophobicContact CE1-CD1 3.61Å; F315-L372 HydrophobicContact CE1-CD2 4.34Å; F315-L372 HydrophobicContact CE2-CD2 4.45Å; F315-L372 HydrophobicContact CZ-CD1 3.65Å; F315-L372 HydrophobicContact CZ-CD2 4.07Å; E338-L372 WeakPolarHBondContact OE1-CB 3.27Å; E338-L372 PolarHBondContact OE1-N 3.01Å; E338-L372 PolarHBondContact OE2-N 3.27Å; P370-L372 PolarHBondContact O-N 2.95Å; L372-K374 VanDerWaalsContact C-N 3.32Å; L372-K374 PolarHBondContact O-N 3.05Å; L372-R375 PolarHBondContact O-N 2.93Å; L372-F376 HydrophobicContact CD1-CD2 4.03Å; L372-F376 HydrophobicContact CD1-CE2 3.63Å; L372-F376 HydrophobicContact CD1-CZ 4.1Å; L372-F376 HydrophobicContact CD2-CE2 3.87Å; L372-F376 HydrophobicContact CG-CD2 3.82Å; L372-F376 HydrophobicContact CG-CE2 3.52Å; L372-F376 HydrophobicContact CG-CZ 4.43Å; L372-F376 VanDerWaalsContact O-CD2 3.3Å; L372-F376 WeakPolarHBondContact O-CD2 3.45Å; L372-F376 PolarHBondContact O-N 3.24Å
373	A	96.1	Very high	95.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-42	176.8	0	0	0	0	0	111.5	F210 E338 F340 V348 P370 Y377	F210-A373 HydrophobicContact CE1-CB 3.67Å; F210-A373 HydrophobicContact CZ-CB 4.29Å; E338-A373 WeakPolarHBondContact OE2-CB 3.45Å; E338-A373 PolarHBondContact OE2-N 2.66Å; F340-A373 HydrophobicContact CD1-CB 3.86Å; F340-A373 HydrophobicContact CE1-CB 4.19Å; F340-A373 HydrophobicContact CG-CB 4.25Å; V348-A373 HydrophobicContact CG1-CB 3.81Å; P370-A373 HydrophobicContact CB-CB 3.95Å; A373-Y377 WeakPolarHBondContact O-CB 3.33Å; A373-Y377 PolarHBondContact O-N 3.16Å
374	K	95.1	Very high	95.8	Very high	99 Å²	99	44.3 Å²	44.3	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-64.9	-42.6	173.8	-76.2	174.3	177.8	171.5	0	112.4	F210 G369 P370 L372 Y377 K378	F210-K374 HydrophobicContact CE2-CG 4.47Å; G369-K374 WeakPolarHBondContact O-CD 3.36Å; G369-K374 WeakPolarHBondContact O-CE 3.48Å; G369-K374 PolarHBondContact O-NZ 2.88Å; P370-K374 WeakPolarHBondContact O-CB 3.3Å; P370-K374 VanDerWaalsContact O-CG 3.31Å; P370-K374 WeakPolarHBondContact O-CG 3.44Å; P370-K374 PolarHBondContact O-N 3.07Å; L372-K374 VanDerWaalsContact C-N 3.32Å; L372-K374 PolarHBondContact O-N 3.05Å; K374-Y377 PolarHBondContact O-N 3Å; K374-K378 WeakPolarHBondContact O-CB 3.48Å; K374-K378 PolarHBondContact O-N 3.4Å
375	R	97.3	Very high	95.8	Very high	98 Å²	98	43 Å²	43	37%	0.37	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-46.5	176.8	-174	-176.1	173.9	176.2	-3.8	110.9	W312 D314 D371 L372 K378 E379	W312-R375 VanDerWaalsContact CD2-NH2 3.29Å; W312-R375 HydrophobicContact CH2-CB 4.28Å; W312-R375 HydrophobicContact CH2-CG 3.55Å; W312-R375 HydrophobicContact CZ2-CG 3.94Å; W312-R375 HydrophobicContact CZ3-CG 4.04Å; D314-R375 IonicContact OD2-CZ 3.72Å; D314-R375 IonicContact OD2-NH1 3.99Å; D314-R375 PolarHBondContact OD2-NH1 3.25Å; D314-R375 IonicContact OD2-NH2 2.62Å; D314-R375 PolarHBondContact OD2-NH2 2.77Å; D371-R375 VanDerWaalsContact O-CB 3.28Å; D371-R375 WeakPolarHBondContact O-CB 3.42Å; D371-R375 PolarHBondContact O-N 3.3Å; L372-R375 PolarHBondContact O-N 2.93Å; R375-K378 PolarHBondContact O-N 3.38Å; R375-E379 VanDerWaalsContact O-CB 3.29Å; R375-E379 WeakPolarHBondContact O-CB 3.27Å; R375-E379 PolarHBondContact O-N 2.93Å
376	F	97.9	Very high	95.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-47.1	175.3	-80.4	-51.1	0	0	0	112.6	L287 L305 L308 W312 F315 F340 V348 L372 K378 E379 L380	L287-F376 HydrophobicContact CD2-CE2 3.81Å; L287-F376 HydrophobicContact CD2-CZ 3.7Å; L305-F376 HydrophobicContact CB-CD1 4.3Å; L305-F376 HydrophobicContact CB-CE1 4.09Å; L305-F376 HydrophobicContact CB-CZ 4.27Å; L305-F376 HydrophobicContact CD1-CD2 4.39Å; L305-F376 HydrophobicContact CD1-CG 4.43Å; L305-F376 HydrophobicContact CD2-CB 3.77Å; L305-F376 HydrophobicContact CD2-CD1 3.57Å; L305-F376 HydrophobicContact CD2-CD2 4.42Å; L305-F376 HydrophobicContact CD2-CE1 4.22Å; L305-F376 HydrophobicContact CD2-CG 3.69Å; L305-F376 HydrophobicContact CG-CD1 4.4Å; L305-F376 HydrophobicContact CG-CG 4.47Å; L305-F376 WeakPolarHBondContact O-CE1 3.5Å; L308-F376 HydrophobicContact CB-CD1 4.24Å; L308-F376 HydrophobicContact CB-CE1 3.85Å; L308-F376 HydrophobicContact CD1-CD1 4.1Å; W312-F376 HydrophobicContact CE3-CE1 4.15Å; W312-F376 HydrophobicContact CE3-CZ 4.47Å; W312-F376 AromaticContact CH2-CD1 3.34Å; W312-F376 HydrophobicContact CH2-CD1 3.34Å; W312-F376 AromaticContact CH2-CE1 3.51Å; W312-F376 HydrophobicContact CH2-CE1 3.51Å; W312-F376 HydrophobicContact CH2-CG 4.06Å; W312-F376 HydrophobicContact CH2-CZ 4.33Å; W312-F376 HydrophobicContact CZ2-CD1 4.36Å; W312-F376 AromaticContact CZ3-CD1 3.6Å; W312-F376 HydrophobicContact CZ3-CD1 3.6Å; W312-F376 AromaticContact CZ3-CE1 3.29Å; W312-F376 HydrophobicContact CZ3-CE1 3.29Å; W312-F376 HydrophobicContact CZ3-CE2 4.35Å; W312-F376 HydrophobicContact CZ3-CG 4.25Å; W312-F376 AromaticContact CZ3-CZ 3.72Å; W312-F376 HydrophobicContact CZ3-CZ 3.72Å; F315-F376 HydrophobicContact CZ-CZ 4.29Å; F340-F376 HydrophobicContact CE2-CD2 4.33Å; F340-F376 AromaticContact CZ-CD2 3.98Å; F340-F376 HydrophobicContact CZ-CD2 3.98Å; F340-F376 HydrophobicContact CZ-CE2 4.05Å; V348-F376 HydrophobicContact CG2-CB 4.15Å; L372-F376 HydrophobicContact CD1-CD2 4.03Å; L372-F376 HydrophobicContact CD1-CE2 3.63Å; L372-F376 HydrophobicContact CD1-CZ 4.1Å; L372-F376 HydrophobicContact CD2-CE2 3.87Å; L372-F376 HydrophobicContact CG-CD2 3.82Å; L372-F376 HydrophobicContact CG-CE2 3.52Å; L372-F376 HydrophobicContact CG-CZ 4.43Å; L372-F376 VanDerWaalsContact O-CD2 3.3Å; L372-F376 WeakPolarHBondContact O-CD2 3.45Å; L372-F376 PolarHBondContact O-N 3.24Å; F376-K378 PolarHBondContact O-N 2.87Å; F376-E379 PolarHBondContact O-N 2.99Å; F376-L380 WeakPolarHBondContact O-CB 3.45Å; F376-L380 WeakPolarHBondContact O-CG 3.38Å; F376-L380 PolarHBondContact O-N 2.93Å
377	Y	95.5	Very high	96	Very high	78 Å²	78	45.5 Å²	45.5	31%	0.306	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-48	177.8	-179.9	-88.3	0	0	0	111.7	F210 V347 A373 K374 L380 T381	F210-Y377 HydrophobicContact CE2-CD1 4.19Å; F210-Y377 AromaticContact CE2-CD2 3.99Å; F210-Y377 HydrophobicContact CE2-CD2 3.99Å; F210-Y377 AromaticContact CE2-CG 3.72Å; F210-Y377 HydrophobicContact CE2-CG 3.72Å; F210-Y377 HydrophobicContact CZ-CD2 4.35Å; F210-Y377 HydrophobicContact CZ-CG 4.15Å; V347-Y377 HydrophobicContact CB-CD2 3.96Å; V347-Y377 HydrophobicContact CB-CE2 4.19Å; V347-Y377 HydrophobicContact CG1-CD2 4.27Å; V347-Y377 HydrophobicContact CG2-CE2 4.43Å; A373-Y377 WeakPolarHBondContact O-CB 3.33Å; A373-Y377 PolarHBondContact O-N 3.16Å; K374-Y377 PolarHBondContact O-N 3Å; Y377-L380 PolarHBondContact O-N 3.45Å; Y377-T381 HydrophobicContact CD1-CG2 4.18Å; Y377-T381 HydrophobicContact CE1-CG2 3.8Å; Y377-T381 HydrophobicContact CE2-CG2 4.16Å; Y377-T381 WeakPolarHBondContact O-CB 3.46Å; Y377-T381 VanDerWaalsContact O-CG2 3.32Å; Y377-T381 WeakPolarHBondContact O-CG2 3.24Å; Y377-T381 PolarHBondContact O-N 3.32Å; Y377-T381 PolarHBondContact O-OG1 3.42Å
378	K	95.6	Very high	96.1	Very high	124 Å²	124	43.3 Å²	43.3	54%	0.539	21%	0.205	S	C	.	.	H	α-helix	trans	-60.3	-49.7	178.5	-174.3	-176.2	-175	-57.5	0	111.4	K374 R375 F376 L380 T381 D382	K374-K378 WeakPolarHBondContact O-CB 3.48Å; K374-K378 PolarHBondContact O-N 3.4Å; R375-K378 PolarHBondContact O-N 3.38Å; F376-K378 PolarHBondContact O-N 2.87Å; K378-L380 PolarHBondContact O-N 3.49Å; K378-T381 PolarHBondContact O-N 2.89Å; K378-T381 PolarHBondContact O-OG1 3.03Å; K378-T381 VanDerWaalsContact O-OG1 3.05Å; K378-D382 IonicContact NZ-OD1 2.69Å; K378-D382 IonicContact NZ-OD2 3.32Å; K378-D382 PolarHBondContact NZ-OD2 3.43Å; K378-D382 VanDerWaalsContact O-CB 3.31Å; K378-D382 WeakPolarHBondContact O-CB 3.14Å; K378-D382 PolarHBondContact O-N 3.23Å
379	E	98.1	Very high	96.3	Very high	30 Å²	30	45.9 Å²	45.9	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-45.7	-178.7	-175.9	66.8	-160.2	0	0	111.8	L308 W312 R375 F376 D382 I383 K388	L308-E379 HydrophobicContact CD1-CB 4.17Å; L308-E379 HydrophobicContact CD1-CG 3.66Å; L308-E379 HydrophobicContact CD2-CG 3.69Å; L308-E379 HydrophobicContact CG-CG 4.33Å; W312-E379 HydrophobicContact CZ2-CB 4.16Å; W312-E379 HydrophobicContact CZ2-CG 4.07Å; R375-E379 VanDerWaalsContact O-CB 3.29Å; R375-E379 WeakPolarHBondContact O-CB 3.27Å; R375-E379 PolarHBondContact O-N 2.93Å; F376-E379 PolarHBondContact O-N 2.99Å; E379-D382 PolarHBondContact O-N 2.97Å; E379-I383 HydrophobicContact CG-CD1 4.45Å; E379-I383 WeakPolarHBondContact O-CG1 3.34Å; E379-I383 PolarHBondContact O-N 2.84Å; E379-I383 VanDerWaalsContact O-N 3.14Å; E379-K388 VanDerWaalsContact OE1-CD 3.3Å; E379-K388 WeakPolarHBondContact OE1-CD 3.24Å; E379-K388 WeakPolarHBondContact OE1-CE 3.34Å; E379-K388 IonicContact OE1-NZ 2.91Å; E379-K388 PolarHBondContact OE1-NZ 3.14Å; E379-K388 IonicContact OE2-NZ 2.79Å
380	L	97.4	Very high	96.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-42	178.5	-70.2	-174	0	0	0	112.5	F122 T301 L305 L308 V347 F376 Y377 K378 I383 Q384 W392	F122-L380 HydrophobicContact CE2-CD2 4.33Å; F122-L380 HydrophobicContact CZ-CD2 3.78Å; T301-L380 HydrophobicContact CG2-CD1 3.85Å; L305-L380 HydrophobicContact CD2-CD1 3.58Å; L305-L380 HydrophobicContact CD2-CG 4.31Å; L308-L380 HydrophobicContact CD1-CD2 3.77Å; L308-L380 HydrophobicContact CD1-CG 4.18Å; V347-L380 HydrophobicContact CG1-CB 3.97Å; V347-L380 HydrophobicContact CG1-CD1 3.52Å; V347-L380 HydrophobicContact CG1-CG 4.38Å; F376-L380 WeakPolarHBondContact O-CB 3.45Å; F376-L380 WeakPolarHBondContact O-CG 3.38Å; F376-L380 PolarHBondContact O-N 2.93Å; Y377-L380 PolarHBondContact O-N 3.45Å; K378-L380 PolarHBondContact O-N 3.49Å; L380-I383 PolarHBondContact O-N 3.23Å; L380-Q384 WeakPolarHBondContact O-CB 3.46Å; L380-Q384 WeakPolarHBondContact O-CG 3.38Å; L380-Q384 PolarHBondContact O-N 2.97Å; L380-W392 HydrophobicContact CD2-CE3 4.45Å; L380-W392 HydrophobicContact CD2-CZ3 4.06Å
381	T	95.9	Very high	97.1	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-37.6	178	53.4	0	0	0	0	111.5	Y377 K378 I383 Q384 Y385 R387	Y377-T381 HydrophobicContact CD1-CG2 4.18Å; Y377-T381 HydrophobicContact CE1-CG2 3.8Å; Y377-T381 HydrophobicContact CE2-CG2 4.16Å; Y377-T381 WeakPolarHBondContact O-CB 3.46Å; Y377-T381 VanDerWaalsContact O-CG2 3.32Å; Y377-T381 WeakPolarHBondContact O-CG2 3.24Å; Y377-T381 PolarHBondContact O-N 3.32Å; Y377-T381 PolarHBondContact O-OG1 3.42Å; K378-T381 PolarHBondContact O-N 2.89Å; K378-T381 PolarHBondContact O-OG1 3.03Å; K378-T381 VanDerWaalsContact O-OG1 3.05Å; T381-I383 VanDerWaalsContact C-N 3.28Å; T381-I383 PolarHBondContact O-N 3.14Å; T381-Q384 PolarHBondContact O-N 2.77Å; T381-Y385 HydrophobicContact CG2-CE2 4.47Å; T381-Y385 WeakPolarHBondContact O-CB 3.49Å; T381-Y385 VanDerWaalsContact O-CD2 3.25Å; T381-Y385 WeakPolarHBondContact O-CD2 3.38Å; T381-Y385 PolarHBondContact O-N 3.33Å; T381-R387 PolarHBondContact O-NH2 2.87Å
382	D	97.9	Very high	97.2	Very high	21 Å²	21	53.1 Å²	53.1	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-39.9	174.5	-74.1	-13.3	0	0	0	111.9	K378 E379 G386 R387 K388	K378-D382 IonicContact NZ-OD1 2.69Å; K378-D382 IonicContact NZ-OD2 3.32Å; K378-D382 PolarHBondContact NZ-OD2 3.43Å; K378-D382 VanDerWaalsContact O-CB 3.31Å; K378-D382 WeakPolarHBondContact O-CB 3.14Å; K378-D382 PolarHBondContact O-N 3.23Å; E379-D382 PolarHBondContact O-N 2.97Å; D382-G386 CarbonylContact O-C 3.6Å; D382-G386 PolarHBondContact O-N 3.07Å; D382-R387 HydrophobicContact CB-CB 4.05Å; D382-R387 WeakPolarHBondContact O-CA 3.43Å; D382-R387 PolarHBondContact O-N 2.86Å; D382-R387 IonicContact OD1-CZ 3.67Å; D382-R387 IonicContact OD1-NE 2.76Å; D382-R387 PolarHBondContact OD1-NE 2.71Å; D382-R387 IonicContact OD1-NH2 3.85Å; D382-K388 HydrophobicContact CB-CB 4.02Å; D382-K388 PolarHBondContact O-N 2.76Å
383	I	98.4	Very high	97.3	Very high	6 Å²	6	53 Å²	53	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-50	172.9	-70.2	166.7	0	0	0	111.2	F122 E379 L380 T381 Y385 G386 K388 W392 A393	F122-I383 HydrophobicContact CD2-CG2 4.19Å; F122-I383 HydrophobicContact CE2-CG2 3.9Å; E379-I383 HydrophobicContact CG-CD1 4.45Å; E379-I383 WeakPolarHBondContact O-CG1 3.34Å; E379-I383 PolarHBondContact O-N 2.84Å; E379-I383 VanDerWaalsContact O-N 3.14Å; L380-I383 PolarHBondContact O-N 3.23Å; T381-I383 VanDerWaalsContact C-N 3.28Å; T381-I383 PolarHBondContact O-N 3.14Å; I383-Y385 VanDerWaalsContact C-N 3.33Å; I383-Y385 PolarHBondContact O-N 3.48Å; I383-G386 PolarHBondContact O-N 3.29Å; I383-K388 HydrophobicContact CG1-CB 4.38Å; I383-K388 HydrophobicContact CG1-CD 4.46Å; I383-W392 HydrophobicContact CD1-CE3 4.09Å; I383-W392 HydrophobicContact CD1-CZ3 4.45Å; I383-W392 HydrophobicContact CG2-CB 4.1Å; I383-A393 HydrophobicContact CG2-CB 3.77Å; I383-A393 WeakPolarHBondContact O-CB 3.3Å
384	Q	97.8	Very high	97.3	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-41.6	-176	-75.4	163.4	-3.1	0	0	112.6	F112 F122 L380 T381	F112-Q384 HydrophobicContact CB-CB 4.49Å; F112-Q384 WeakPolarHBondContact CB-O 3.49Å; F112-Q384 HydrophobicContact CD1-CB 3.98Å; F112-Q384 HydrophobicContact CD2-CB 3.92Å; F112-Q384 HydrophobicContact CD2-CG 4.1Å; F112-Q384 HydrophobicContact CE1-CB 4.1Å; F112-Q384 HydrophobicContact CE1-CG 4.25Å; F112-Q384 HydrophobicContact CE2-CB 4.05Å; F112-Q384 HydrophobicContact CE2-CG 3.76Å; F112-Q384 HydrophobicContact CG-CB 3.88Å; F112-Q384 HydrophobicContact CG-CG 4.49Å; F112-Q384 HydrophobicContact CZ-CB 4.12Å; F112-Q384 VanDerWaalsContact CZ-CD 3.49Å; F112-Q384 HydrophobicContact CZ-CG 3.82Å; F122-Q384 HydrophobicContact CB-CG 4.03Å; F122-Q384 HydrophobicContact CD2-CG 3.57Å; F122-Q384 HydrophobicContact CE2-CG 4.23Å; F122-Q384 HydrophobicContact CG-CG 3.85Å; L380-Q384 WeakPolarHBondContact O-CB 3.46Å; L380-Q384 WeakPolarHBondContact O-CG 3.38Å; L380-Q384 PolarHBondContact O-N 2.97Å; T381-Q384 PolarHBondContact O-N 2.77Å
385	Y	97.9	Very high	97.4	Very high	10 Å²	10	54 Å²	54	4%	0.039	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8.6	-179.3	-68.8	-74.4	0	0	0	113.8	F112 R113 G114 V115 Q167 A169 T381 I383 R387	F112-Y385 HydrophobicContact CB-CD1 4.18Å; F112-Y385 HydrophobicContact CB-CE1 4.17Å; F112-Y385 HydrophobicContact CD1-CE1 4.02Å; F112-Y385 HydrophobicContact CD1-CE2 4.14Å; F112-Y385 AromaticContact CD1-CZ 3.77Å; R113-Y385 WeakPolarHBondContact O-CD1 3.49Å; G114-Y385 CarbonylContact C-O 3.51Å; G114-Y385 WeakPolarHBondContact CA-O 3.24Å; V115-Y385 PolarHBondContact N-O 2.83Å; Q167-Y385 VanDerWaalsContact C-CZ 3.48Å; Q167-Y385 WeakPolarHBondContact O-CE2 3.39Å; Q167-Y385 PolarHBondContact O-OH 2.74Å; A169-Y385 PolarHBondContact N-OH 2.96Å; A169-Y385 PolarHBondContact O-OH 3.46Å; T381-Y385 HydrophobicContact CG2-CE2 4.47Å; T381-Y385 WeakPolarHBondContact O-CB 3.49Å; T381-Y385 VanDerWaalsContact O-CD2 3.25Å; T381-Y385 WeakPolarHBondContact O-CD2 3.38Å; T381-Y385 PolarHBondContact O-N 3.33Å; I383-Y385 VanDerWaalsContact C-N 3.33Å; I383-Y385 PolarHBondContact O-N 3.48Å; Y385-R387 VanDerWaalsContact C-N 3.27Å; Y385-R387 PolarHBondContact O-N 3.11Å
386	G	97.8	Very high	97.3	Very high	18 Å²	18	50.6 Å²	50.6	19%	0.186	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	15.7	175.1	0	0	0	0	0	115.4	D382 I383	D382-G386 CarbonylContact O-C 3.6Å; D382-G386 PolarHBondContact O-N 3.07Å; I383-G386 PolarHBondContact O-N 3.29Å
387	R	98.1	Very high	96.9	Very high	101 Å²	101	53.5 Å²	53.5	38%	0.381	27%	0.274	S	S	.	.	S	Bend	trans	-69.3	-27.7	169.1	-66.8	-176.9	-78.7	-86.9	5.8	111.6	V115 T381 D382 Y385	V115-R387 HydrophobicContact CG1-CG 3.62Å; V115-R387 HydrophobicContact CG2-CG 4.11Å; T381-R387 PolarHBondContact O-NH2 2.87Å; D382-R387 HydrophobicContact CB-CB 4.05Å; D382-R387 WeakPolarHBondContact O-CA 3.43Å; D382-R387 PolarHBondContact O-N 2.86Å; D382-R387 IonicContact OD1-CZ 3.67Å; D382-R387 IonicContact OD1-NE 2.76Å; D382-R387 PolarHBondContact OD1-NE 2.71Å; D382-R387 IonicContact OD1-NH2 3.85Å; Y385-R387 VanDerWaalsContact C-N 3.27Å; Y385-R387 PolarHBondContact O-N 3.11Å
388	K	97.8	Very high	97	Very high	90 Å²	90	52.3 Å²	52.3	39%	0.391	27%	0.273	S	S	.	.	S	Bend	trans	-124.8	121.2	172.7	-173.7	175.4	-176.2	175.4	0	109.9	E379 D382 I383 S390	E379-K388 VanDerWaalsContact OE1-CD 3.3Å; E379-K388 WeakPolarHBondContact OE1-CD 3.24Å; E379-K388 WeakPolarHBondContact OE1-CE 3.34Å; E379-K388 IonicContact OE1-NZ 2.91Å; E379-K388 PolarHBondContact OE1-NZ 3.14Å; E379-K388 IonicContact OE2-NZ 2.79Å; D382-K388 HydrophobicContact CB-CB 4.02Å; D382-K388 PolarHBondContact O-N 2.76Å; I383-K388 HydrophobicContact CG1-CB 4.38Å; I383-K388 HydrophobicContact CG1-CD 4.46Å; K388-S390 PolarHBondContact O-N 2.97Å
389	P	96.3	Very high	97	Very high	120 Å²	120	48.5 Å²	48.5	78%	0.779	26%	0.259	S	S	*	.			trans	-60.2	136.1	174.2	-23.7	33.9	0	0	0	111.8
390	S	98	Very high	97	Very high	46 Å²	46	49.5 Å²	49.5	32%	0.322	27%	0.266	S	S	.	.			trans	-162.6	142.6	174.4	179.7	0	0	0	0	110.7	K388 W392 A393	K388-S390 PolarHBondContact O-N 2.97Å; S390-W392 PolarHBondContact O-N 2.76Å; S390-W392 VanDerWaalsContact O-N 3.12Å; S390-W392 WeakPolarHBondContact OG-CB 3.28Å; S390-W392 PolarHBondContact OG-N 3.04Å; S390-W392 VanDerWaalsContact OG-N 3.17Å; S390-A393 PolarHBondContact O-N 3.17Å
391	E	97.2	Very high	97	Very high	191 Å²	191	52.4 Å²	52.4	89%	0.893	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.5	171.4	-60.1	-174.8	152	0	0	112.7	A393	E391-A393 PolarHBondContact O-N 3.03Å
392	W	98.4	Very high	97	Very high	54 Å²	54	55.1 Å²	55.1	21%	0.205	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20	176.4	-68.7	9.1	0	0	0	113.2	F122 R123 D307 L308 L380 I383 S390 P394	F122-W392 CarbonylContact C-O 3.57Å; F122-W392 HydrophobicContact CD2-CB 4.44Å; F122-W392 HydrophobicContact CE2-CB 3.96Å; F122-W392 AromaticContact CE2-CE3 3.95Å; F122-W392 HydrophobicContact CE2-CE3 3.95Å; F122-W392 AromaticContact CZ-CE3 3.84Å; F122-W392 HydrophobicContact CZ-CE3 3.84Å; F122-W392 HydrophobicContact CZ-CZ3 4.49Å; R123-W392 HydrophobicContact CG-CB 3.7Å; R123-W392 HydrophobicContact CG-CD2 4.32Å; R123-W392 HydrophobicContact CG-CG 3.89Å; R123-W392 PolarHBondContact N-O 3.1Å; D307-W392 HydrophobicContact CB-CH2 3.71Å; D307-W392 HydrophobicContact CB-CZ2 3.74Å; L308-W392 HydrophobicContact CD1-CZ3 4.34Å; L308-W392 HydrophobicContact CD2-CH2 4.23Å; L308-W392 HydrophobicContact CD2-CZ3 4.31Å; L308-W392 HydrophobicContact CG-CH2 3.94Å; L308-W392 HydrophobicContact CG-CZ3 4.01Å; L380-W392 HydrophobicContact CD2-CE3 4.45Å; L380-W392 HydrophobicContact CD2-CZ3 4.06Å; I383-W392 HydrophobicContact CD1-CE3 4.09Å; I383-W392 HydrophobicContact CD1-CZ3 4.45Å; I383-W392 HydrophobicContact CG2-CB 4.1Å; S390-W392 PolarHBondContact O-N 2.76Å; S390-W392 VanDerWaalsContact O-N 3.12Å; S390-W392 WeakPolarHBondContact OG-CB 3.28Å; S390-W392 PolarHBondContact OG-N 3.04Å; S390-W392 VanDerWaalsContact OG-N 3.17Å; W392-P394 VanDerWaalsContact C-CD 3.5Å
393	A	97.9	Very high	97	Very high	7 Å²	7	57.4 Å²	57.4	6%	0.058	31%	0.307	C	S	.	.	S	Bend	trans	-126.6	67.3	-177.5	0	0	0	0	0	111.6	R120 L121 I383 S390 E391	R120-A393 HydrophobicContact CB-CB 4.26Å; R120-A393 WeakPolarHBondContact CD-O 3.32Å; L121-A393 WeakPolarHBondContact O-CA 3.4Å; I383-A393 HydrophobicContact CG2-CB 3.77Å; I383-A393 WeakPolarHBondContact O-CB 3.3Å; S390-A393 PolarHBondContact O-N 3.17Å; E391-A393 PolarHBondContact O-N 3.03Å
394	P	97.3	Very high	96.8	Very high	47 Å²	47	61.1 Å²	61.1	31%	0.305	33%	0.327	S	S	.	.			trans	-59	141.1	176.8	26.4	-37.1	0	0	0	111.6	R120 L121 P124 W392	R120-P394 VanDerWaalsContact CA-O 3.3Å; R120-P394 WeakPolarHBondContact CA-O 3.4Å; L121-P394 PolarHBondContact N-O 3.15Å; L121-P394 VanDerWaalsContact O-CD 3.27Å; L121-P394 WeakPolarHBondContact O-CD 3.44Å; P124-P394 HydrophobicContact CG-CG 4.36Å; W392-P394 VanDerWaalsContact C-CD 3.5Å
395	V	97.4	Very high	96.8	Very high	73 Å²	73	65 Å²	65	44%	0.442	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-68.5	139.5	170.6	177.6	0	0	0	0	109.4	H118 I119 R120	H118-V395 HydrophobicContact CB-CG1 3.99Å; H118-V395 HydrophobicContact CB-CG2 4.26Å; I119-V395 CarbonylContact O-C 3.55Å; I119-V395 WeakPolarHBondContact O-CA 3.34Å; R120-V395 HydrophobicContact CG-CG2 4.1Å
396	V	93.6	Very high	96.7	Very high	27 Å²	27	69.6 Å²	69.6	16%	0.164	38%	0.375	C	S	.	.			trans	-128.6	-20.6	-179.3	-62.6	0	0	0	0	114	I119 L121 K153	I119-V396 HydrophobicContact CB-CG2 4.31Å; I119-V396 HydrophobicContact CG2-CG2 3.84Å; I119-V396 WeakPolarHBondContact O-CG2 3.11Å; I119-V396 PolarHBondContact O-N 3.22Å; L121-V396 HydrophobicContact CB-CG1 4.36Å; L121-V396 HydrophobicContact CD1-CG1 3.94Å; L121-V396 HydrophobicContact CG-CB 4.5Å; L121-V396 HydrophobicContact CG-CG1 3.79Å; L121-V396 HydrophobicContact CG-CG2 3.99Å; K153-V396 HydrophobicContact CD-CB 4.47Å; K153-V396 HydrophobicContact CD-CG1 3.9Å; K153-V396 HydrophobicContact CG-CB 4.18Å; K153-V396 HydrophobicContact CG-CG1 3.82Å
397	V	90.4	Very high	96.6	Very high	61 Å²	61	74.3 Å²	74.3	37%	0.37	39%	0.392	S	S	.	.			trans	-139.7	0	170	-169.3	0	0	0	0	108.9	I119 E157 Q160	I119-V397 HydrophobicContact CB-CB 3.95Å; I119-V397 HydrophobicContact CB-CG2 4.23Å; I119-V397 HydrophobicContact CD1-CB 3.89Å; I119-V397 HydrophobicContact CD1-CG1 4.36Å; I119-V397 HydrophobicContact CD1-CG2 4.05Å; I119-V397 HydrophobicContact CG1-CB 4.3Å; I119-V397 PolarHBondContact N-O 2.83Å; I119-V397 PolarHBondContact O-N 3.48Å; E157-V397 HydrophobicContact CB-CG2 3.97Å; E157-V397 HydrophobicContact CG-CG1 4.48Å; E157-V397 HydrophobicContact CG-CG2 4.24Å; Q160-V397 HydrophobicContact CB-CG1 4.37Å

Retrieved 397 of 397 residues in 175.7 ms (Link to these results)

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