A0A061ICE1_CRIGR Loading...

Histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A061ICE1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Kat8, Length 458 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	29.4	Very low	238 Å²	238	126 Å²	126	100%	1.172	86%	0.864	S	S	*	*				0	98.7	0	-60.2	-171.2	-154.1	0	0	106
2	A	31.8	Very low	29.2	Very low	103 Å²	103	123.9 Å²	123.9	85%	0.851	86%	0.861	S	S	*	*				57.1	125.9	83.1	0	0	0	0	0	110.8
3	A	29.9	Very low	29	Very low	82 Å²	82	125.4 Å²	125.4	68%	0.678	86%	0.863	S	S	*	*			cis	-169.7	175.3	9.9	0	0	0	0	0	111
4	Q	30.4	Very low	29	Very low	196 Å²	196	126.2 Å²	126.2	92%	0.916	86%	0.861	S	S	*	*			trans	77.6	128.3	153	-64.2	165.4	6.8	0	0	117.4
5	G	27.5	Very low	28.9	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	86%	0.861	S	S	*	*			cis	119.7	114.1	10.2	0	0	0	0	0	110.7
6	A	28.6	Very low	28.7	Very low	108 Å²	108	122.3 Å²	122.3	89%	0.893	85%	0.851	S	S	*	*			trans	-168.9	111	154.2	0	0	0	0	0	111.9
7	T	28.3	Very low	28.7	Very low	144 Å²	144	124.5 Å²	124.5	88%	0.883	85%	0.849	S	S	*	*			trans	-89.7	148.6	165.1	40.3	0	0	0	0	110.5
8	A	28.4	Very low	28.6	Very low	107 Å²	107	125.3 Å²	125.3	88%	0.884	85%	0.849	S	S	*	*			trans	-146.1	124.9	157.6	0	0	0	0	0	111
9	A	27.5	Very low	28.4	Very low	98 Å²	98	122.1 Å²	122.1	81%	0.81	84%	0.838	S	S	*	*			trans	-121	137.4	171.1	0	0	0	0	0	107.7
10	V	28.6	Very low	28.3	Very low	139 Å²	139	126.4 Å²	126.4	84%	0.842	85%	0.845	S	S	*	*			trans	-155.1	102.2	165	-172.3	0	0	0	0	106.5
11	A	27.2	Very low	28.1	Very low	93 Å²	93	123.7 Å²	123.7	77%	0.769	84%	0.839	S	S	*	*				84.8	124.7	86.1	0	0	0	0	0	114.3
12	A	26.9	Very low	27.5	Very low	101 Å²	101	121.5 Å²	121.5	84%	0.835	83%	0.825	S	S	*	*			trans	-81.6	149.3	174.3	0	0	0	0	0	111.1
13	T	26.6	Very low	27.5	Very low	143 Å²	143	122 Å²	122	88%	0.877	82%	0.82	S	S	*	*			trans	-142.7	124.8	163.1	0.1	0	0	0	0	110.3
14	T	28.4	Very low	27.3	Very low	137 Å²	137	121.3 Å²	121.3	84%	0.84	82%	0.821	S	S	*	*			trans	-85.9	140.3	170.5	43.2	0	0	0	0	110.9
15	S	28.8	Very low	27.4	Very low	122 Å²	122	118.6 Å²	118.6	85%	0.853	82%	0.821	S	S	*	*			trans	-168.1	122.9	147.6	51.7	0	0	0	0	109.7
16	G	24.8	Very low	27.3	Very low	68 Å²	68	118.6 Å²	118.6	70%	0.701	82%	0.82	S	S	*	*			trans	-94.6	173.6	169.1	0	0	0	0	0	112.4
17	I	28.6	Very low	27.2	Very low	159 Å²	159	122.2 Å²	122.2	82%	0.815	82%	0.819	S	S	*	*			trans	167.5	118.4	138.3	-86.2	159	0	0	0	109
18	V	27.1	Very low	27.1	Very low	140 Å²	140	123.5 Å²	123.5	85%	0.848	82%	0.82	S	S	*	*			trans	44.3	135.9	130.6	-164	0	0	0	0	118.4
19	G	25.5	Very low	27	Very low	63 Å²	63	122.7 Å²	122.7	65%	0.649	81%	0.813	S	S	*	*			cis	147	142.2	14.6	0	0	0	0	0	107
20	E	25.3	Very low	27	Very low	209 Å²	209	122.9 Å²	122.9	98%	0.977	82%	0.815	S	S	*	*			trans	152	134.3	168.6	-91.6	176.9	-168.6	0	0	107
21	G	24.1	Very low	26.9	Very low	69 Å²	69	122.7 Å²	122.7	71%	0.711	81%	0.813	S	S	*	*			cis	150.3	113.4	4.6	0	0	0	0	0	109.1
22	E	23.8	Very low	26.9	Very low	192 Å²	192	127.4 Å²	127.4	90%	0.897	82%	0.82	S	S	*	*			trans	68	162.2	159.7	-64.8	-156.2	140.4	0	0	122.3
23	P	30.8	Very low	26.9	Very low	114 Å²	114	125 Å²	125	74%	0.74	80%	0.804	S	S	*	*			cis	-130.8	166.4	-21.4	27	-5.4	0	0	0	114.9
24	G	25.6	Very low	27	Very low	67 Å²	67	124.4 Å²	124.4	69%	0.691	80%	0.803	S	S	*	*			trans	-76.1	171.7	160.1	0	0	0	0	0	111.8
25	P	32.7	Very low	27	Very low	140 Å²	140	122.8 Å²	122.8	91%	0.909	80%	0.804	S	S	*	*				-150.7	-179.7	63.5	37.6	-16.7	0	0	0	115.4
26	G	25.2	Very low	27.1	Very low	77 Å²	77	120.4 Å²	120.4	79%	0.794	80%	0.799	S	S	*	*			trans	139.9	87.5	149.6	0	0	0	0	0	116.8
27	E	27.2	Very low	27.6	Very low	185 Å²	185	121 Å²	121	86%	0.864	79%	0.792	S	S	*	*			trans	-56.7	136.2	170.2	-69.1	164	121.2	0	0	113.5
28	N	26.4	Very low	28.2	Very low	171 Å²	171	118.6 Å²	118.6	91%	0.914	79%	0.787	S	S	*	*			trans	-173	74.7	140.8	-93.2	-30.3	0	0	0	109.2
29	A	26.7	Very low	29.3	Very low	90 Å²	90	113.6 Å²	113.6	74%	0.744	76%	0.763	S	S	*	*			trans	-110.3	98.6	165	0	0	0	0	0	107.9	V31	A29-V31 PolarHBondContact O-N 3.31Å; A29-V31 VanDerWaalsContact O-N 3.11Å
30	A	26.5	Very low	30.7	Very low	101 Å²	101	118.9 Å²	118.9	84%	0.835	76%	0.764	S	S	*	*			trans	-62.3	110.5	166.7	0	0	0	0	0	108.2	E32	A30-E32 PolarHBondContact O-N 2.9Å; A30-E32 VanDerWaalsContact O-N 3.15Å
31	V	26.4	Very low	32.5	Very low	135 Å²	135	111 Å²	111	82%	0.818	73%	0.73	S	S	*	*			trans	-73.4	99	173.2	177.8	0	0	0	0	107.6	A29 G33	A29-V31 PolarHBondContact O-N 3.31Å; A29-V31 VanDerWaalsContact O-N 3.11Å; V31-G33 PolarHBondContact O-N 3.06Å
32	E	27.7	Very low	34.1	Very low	192 Å²	192	113 Å²	113	90%	0.897	73%	0.733	S	S	*	*			trans	-68.6	105.2	159.2	-77.4	-172	154.6	0	0	107.9	A30	A30-E32 PolarHBondContact O-N 2.9Å; A30-E32 VanDerWaalsContact O-N 3.15Å
33	G	26.8	Very low	35.7	Very low	50 Å²	50	106.3 Å²	106.3	52%	0.515	71%	0.706	S	S	.	*	P	Polyproline II helix	trans	-63.7	157.9	171.9	0	0	0	0	0	111.8	V31 A35	V31-G33 PolarHBondContact O-N 3.06Å; G33-A35 PolarHBondContact O-N 3.31Å; G33-A35 VanDerWaalsContact O-N 3.17Å
34	P	29.3	Very low	36.9	Very low	132 Å²	132	103.2 Å²	103.2	86%	0.857	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69.4	118.7	-178	29.4	-31.2	0	0	0	109.1	G36	P34-G36 PolarHBondContact O-N 3.45Å; P34-G36 VanDerWaalsContact O-N 3.17Å
35	A	27.9	Very low	38.3	Very low	102 Å²	102	106.7 Å²	106.7	84%	0.843	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-56.7	119	167.3	0	0	0	0	0	109.1	G33 S37	G33-A35 PolarHBondContact O-N 3.31Å; G33-A35 VanDerWaalsContact O-N 3.17Å; A35-S37 PolarHBondContact O-N 3.48Å
36	G	30.6	Very low	39.3	Very low	73 Å²	73	103.7 Å²	103.7	75%	0.753	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-59.4	130.4	179.1	0	0	0	0	0	111.4	P34	P34-G36 PolarHBondContact O-N 3.45Å; P34-G36 VanDerWaalsContact O-N 3.17Å
37	S	35.9	Very low	40.8	Very low	81 Å²	81	102.7 Å²	102.7	57%	0.566	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-59.5	134.5	170.2	39.5	0	0	0	0	110.3	A35 G39	A35-S37 PolarHBondContact O-N 3.48Å; S37-G39 PolarHBondContact O-N 3.04Å
38	P	40.2	Very low	41.9	Very low	107 Å²	107	106.3 Å²	106.3	70%	0.695	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	135	-178.2	-16.1	27.1	0	0	0	111	F96	P38-F96 WeakPolarHBondContact O-CZ 3.42Å
39	G	50.6	Low	43.4	Very low	35 Å²	35	102 Å²	102	36%	0.361	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	92.9	-7.6	167.1	0	0	0	0	0	117.7	S37 V41 H71	S37-G39 PolarHBondContact O-N 3.04Å; G39-V41 PolarHBondContact O-N 2.78Å; G39-H71 PolarHBondContact O-ND1 2.91Å
40	R	55	Low	45.3	Very low	174 Å²	174	100.3 Å²	100.3	66%	0.657	64%	0.637	S	S	*	*	B	Isolated β-bridge	trans	-77.4	116	176.2	-168.4	177.6	-175.7	-174.3	2.1	110.4
41	V	64.3	Low	47.3	Very low	44 Å²	44	100.2 Å²	100.2	27%	0.267	63%	0.628	S	S	.	*			trans	-118	135.2	178.6	-168.3	0	0	0	0	109.1	G39 L62 W70	G39-V41 PolarHBondContact O-N 2.78Å; V41-L62 HydrophobicContact CB-CD2 3.94Å; V41-L62 HydrophobicContact CG1-CD2 4.49Å; V41-W70 PolarHBondContact N-O 3.47Å; V41-W70 VanDerWaalsContact N-O 3.1Å; V41-W70 WeakPolarHBondContact O-CB 3.48Å
42	S	57.5	Low	49.6	Very low	111 Å²	111	100 Å²	100	78%	0.776	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-75.2	123.2	168.5	-63.1	0	0	0	0	108.3
43	P	55.5	Low	52.2	Low	52 Å²	52	92.6 Å²	92.6	34%	0.338	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-62.6	136.8	177.3	27.6	-34.7	0	0	0	109.2	W70	P43-W70 HydrophobicContact CB-CD2 4.39Å; P43-W70 HydrophobicContact CB-CG 4.38Å; P43-W70 HydrophobicContact CG-CD2 4.34Å; P43-W70 HydrophobicContact CG-CG 4.03Å
44	P	57.9	Low	54.9	Low	48 Å²	48	95.6 Å²	95.6	31%	0.312	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-56.8	141.2	167	-16.9	27.5	0	0	0	109.6	P46 V115 A118	P44-P46 VanDerWaalsContact O-CD 3.24Å; P44-P46 WeakPolarHBondContact O-CD 3.5Å; P44-V115 HydrophobicContact CB-CG2 4.17Å; P44-V115 HydrophobicContact CG-CG2 4.02Å; P44-A118 HydrophobicContact CG-CB 4.48Å
45	T	55	Low	57.7	Low	140 Å²	140	90.3 Å²	90.3	86%	0.859	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-65.4	116.2	174	-41.4	0	0	0	0	108.6
46	P	53.4	Low	60.5	Low	77 Å²	77	89.9 Å²	89.9	50%	0.5	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-67.4	137.1	-179.4	25.6	-31.4	0	0	0	110.1	P44 T112	P44-P46 VanDerWaalsContact O-CD 3.24Å; P44-P46 WeakPolarHBondContact O-CD 3.5Å; P46-T112 HydrophobicContact CB-CG2 3.85Å
47	A	55.5	Low	63.3	Low	57 Å²	57	91.4 Å²	91.4	47%	0.471	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-66.2	138	171.4	0	0	0	0	0	109.5	G49 E50	A47-G49 PolarHBondContact O-N 3.29Å; A47-G49 VanDerWaalsContact O-N 3.14Å; A47-E50 HydrophobicContact CB-CG 4.15Å; A47-E50 PolarHBondContact O-N 3.2Å
48	R	50.6	Low	65.6	Low	261 Å²	261	89.5 Å²	89.5	99%	0.985	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	119.3	179.1	-94.8	-176.8	171.9	-176.8	-2	109.9
49	G	58.6	Low	67.9	Low	80 Å²	80	87.1 Å²	87.1	83%	0.825	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	12.2	172.5	0	0	0	0	0	116	A47	A47-G49 PolarHBondContact O-N 3.29Å; A47-G49 VanDerWaalsContact O-N 3.14Å
50	E	66.9	Low	69.6	Low	55 Å²	55	86.2 Å²	86.2	26%	0.257	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-64.7	138	170.7	-78	-173.4	-167.4	0	0	111.7	A47 T112 T114	A47-E50 HydrophobicContact CB-CG 4.15Å; A47-E50 PolarHBondContact O-N 3.2Å; E50-T112 HydrophobicContact CB-CG2 4.16Å; E50-T112 WeakPolarHBondContact OE2-CB 3.15Å; E50-T114 VanDerWaalsContact CD-OG1 3.27Å; E50-T114 PolarHBondContact OE1-OG1 3.25Å; E50-T114 PolarHBondContact OE2-OG1 3.33Å; E50-T114 VanDerWaalsContact OE2-OG1 3.09Å
51	P	68.7	Low	71.3	Confident	99 Å²	99	77.9 Å²	77.9	64%	0.643	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-66.1	136.6	175.8	26.5	-32	0	0	0	110.8
52	E	74.7	Confident	72.5	Confident	130 Å²	130	76 Å²	76	61%	0.607	45%	0.447	S	S	*	.	B	Isolated β-bridge	trans	-66.7	135.7	169.7	-76.1	-172.1	175.3	0	0	110.3	K106	E52-K106 WeakPolarHBondContact OE2-CE 3.44Å; E52-K106 IonicContact OE2-NZ 3.15Å; E52-K106 PolarHBondContact OE2-NZ 2.84Å
53	V	80.8	Confident	74.1	Confident	36 Å²	36	70.7 Å²	70.7	22%	0.218	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-86.5	142.7	172.4	-171.2	0	0	0	0	109.2	L111 K113 K116	V53-L111 WeakPolarHBondContact CG2-O 2.83Å; V53-L111 PolarHBondContact N-O 3.36Å; V53-K113 HydrophobicContact CG2-CB 3.94Å; V53-K113 HydrophobicContact CG2-CG 4.48Å; V53-K116 HydrophobicContact CG1-CD 4.06Å
54	T	84.9	Confident	75.8	Confident	113 Å²	113	73 Å²	73	69%	0.693	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-64.7	139.4	171.7	-43	0	0	0	0	110.1	E56	T54-E56 PolarHBondContact O-N 2.84Å
55	V	86.3	Confident	77.3	Confident	21 Å²	21	73 Å²	73	13%	0.127	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-74.2	124.4	177.6	-172.1	0	0	0	0	109.2	Y61 V75 F89 L109 L111	V55-Y61 HydrophobicContact CG1-CE2 4.15Å; V55-V75 HydrophobicContact CG1-CB 4.36Å; V55-V75 HydrophobicContact CG1-CG1 4Å; V55-V75 HydrophobicContact CG1-CG2 3.87Å; V55-F89 HydrophobicContact CB-CD1 4.07Å; V55-F89 HydrophobicContact CB-CE1 3.51Å; V55-F89 HydrophobicContact CB-CE2 4.37Å; V55-F89 HydrophobicContact CB-CZ 3.69Å; V55-F89 HydrophobicContact CG1-CD1 3.58Å; V55-F89 HydrophobicContact CG1-CE1 3.58Å; V55-F89 HydrophobicContact CG1-CG 4.12Å; V55-F89 HydrophobicContact CG1-CZ 4.12Å; V55-F89 HydrophobicContact CG2-CE1 4.03Å; V55-F89 HydrophobicContact CG2-CE2 3.96Å; V55-F89 HydrophobicContact CG2-CZ 3.69Å; V55-L109 HydrophobicContact CG1-CD1 3.94Å; V55-L109 HydrophobicContact CG2-CD1 3.9Å; V55-L111 HydrophobicContact CG2-CD1 3.82Å; V55-L111 HydrophobicContact CG2-CD2 3.67Å; V55-L111 HydrophobicContact CG2-CG 4.41Å
56	E	87.4	Confident	78.7	Confident	94 Å²	94	71.1 Å²	71.1	44%	0.439	40%	0.396	S	S	.	.			trans	-107.1	136	178.8	-70.2	163.6	178.6	0	0	110.4	T54 E59 Y61 K116	T54-E56 PolarHBondContact O-N 2.84Å; E56-E59 HydrophobicContact CB-CB 4.28Å; E56-E59 HydrophobicContact CB-CG 3.76Å; E56-E59 PolarHBondContact O-N 3.04Å; E56-Y61 PolarHBondContact N-OH 2.88Å; E56-K116 IonicContact OE1-NZ 2.88Å; E56-K116 IonicContact OE2-NZ 2.78Å; E56-K116 PolarHBondContact OE2-NZ 3.39Å
57	I	89.1	Confident	80.3	Confident	104 Å²	104	72.1 Å²	72.1	53%	0.533	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	135.3	176.2	-63.7	173.2	0	0	0	109.5	E59 I76	I57-E59 VanDerWaalsContact C-N 3.35Å; I57-I76 WeakPolarHBondContact CG2-O 3.34Å
58	G	85.4	Confident	81.7	Confident	41 Å²	41	73.5 Å²	73.5	42%	0.423	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-11.8	-176.3	0	0	0	0	0	113.9	V75	G58-V75 PolarHBondContact N-O 3.18Å
59	E	87.8	Confident	83.5	Confident	57 Å²	57	62.1 Å²	62.1	27%	0.266	36%	0.363	S	S	.	.			trans	-90.7	155.7	-178.9	-66.1	-60.2	149.2	0	0	112.4	E56 I57 Y61 V75 Q120	E56-E59 HydrophobicContact CB-CB 4.28Å; E56-E59 HydrophobicContact CB-CG 3.76Å; E56-E59 PolarHBondContact O-N 3.04Å; I57-E59 VanDerWaalsContact C-N 3.35Å; E59-Y61 HydrophobicContact CB-CD2 4.46Å; E59-Y61 HydrophobicContact CB-CE2 3.56Å; E59-V75 PolarHBondContact O-N 3.49Å; E59-Q120 PolarHBondContact OE2-NE2 2.97Å; E59-Q120 PolarHBondContact OE2-OE1 2.75Å
60	T	87.3	Confident	84.8	Confident	16 Å²	16	60.7 Å²	60.7	10%	0.098	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.6	-179.8	-53.8	0	0	0	0	111.3	A73 V94 V119	T60-A73 CarbonylContact C-O 3.44Å; T60-A73 WeakPolarHBondContact CA-O 3.28Å; T60-V94 HydrophobicContact CG2-CG2 4.23Å; T60-V119 HydrophobicContact CG2-CG1 3.62Å
61	Y	89.9	Confident	85.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.9	178.5	-61	-94.4	0	0	0	110.9	V55 E56 E59 C63 A73 V75 L111 K116	V55-Y61 HydrophobicContact CG1-CE2 4.15Å; E56-Y61 PolarHBondContact N-OH 2.88Å; E59-Y61 HydrophobicContact CB-CD2 4.46Å; E59-Y61 HydrophobicContact CB-CE2 3.56Å; Y61-C63 PolarHBondContact O-N 2.92Å; Y61-A73 PolarHBondContact N-O 2.65Å; Y61-A73 PolarHBondContact O-N 2.78Å; Y61-V75 HydrophobicContact CD2-CB 4.44Å; Y61-V75 HydrophobicContact CD2-CG2 3.55Å; Y61-V75 HydrophobicContact CE2-CB 4.45Å; Y61-V75 HydrophobicContact CE2-CG2 3.92Å; Y61-L111 HydrophobicContact CD1-CD2 3.84Å; Y61-L111 HydrophobicContact CE1-CD2 4.05Å; Y61-K116 HydrophobicContact CD1-CG 4.42Å; Y61-K116 HydrophobicContact CE1-CD 3.82Å; Y61-K116 HydrophobicContact CE1-CG 4.04Å; Y61-K116 WeakPolarHBondContact OH-CE 3.41Å; Y61-K116 PolarHBondContact OH-NZ 3.12Å; Y61-K116 VanDerWaalsContact OH-NZ 3.15Å
62	L	89.7	Confident	86.7	Confident	3 Å²	3	55 Å²	55	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.8	164.8	-97.8	158.5	0	0	0	108.6	V41 W70 L109 A110 V115 V119	V41-L62 HydrophobicContact CB-CD2 3.94Å; V41-L62 HydrophobicContact CG1-CD2 4.49Å; L62-W70 HydrophobicContact CB-CE3 4.03Å; L62-W70 HydrophobicContact CB-CZ3 4.49Å; L62-W70 HydrophobicContact CD2-CB 3.74Å; L62-W70 WeakPolarHBondContact O-CZ3 3.5Å; L62-L109 WeakPolarHBondContact O-CA 3.36Å; L62-A110 HydrophobicContact CB-CB 3.93Å; L62-A110 PolarHBondContact O-N 3.43Å; L62-V115 HydrophobicContact CB-CG1 4.18Å; L62-V115 HydrophobicContact CD1-CG1 3.65Å; L62-V119 HydrophobicContact CB-CG2 4.03Å; L62-V119 HydrophobicContact CD1-CG2 3.41Å; L62-V119 VanDerWaalsContact CD1-CG2 3.41Å; L62-V119 HydrophobicContact CG-CG2 3.45Å; L62-V119 VanDerWaalsContact CG-CG2 3.45Å
63	C	90.7	Very high	87.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.2	179.2	179.7	0	0	0	0	110.5	Y61 H71 A73 Y93 R108 L109	Y61-C63 PolarHBondContact O-N 2.92Å; C63-H71 PolarHBondContact N-O 3.4Å; C63-H71 PolarHBondContact O-N 3.1Å; C63-A73 HydrophobicContact CB-CB 3.71Å; C63-Y93 HydrophobicContact CB-CE1 3.91Å; C63-Y93 PolarHBondContact SG-OH 3.25Å; C63-R108 CarbonylContact C-O 3.5Å; C63-R108 WeakPolarHBondContact CA-O 3.2Å; C63-L109 HydrophobicContact CB-CD2 3.84Å
64	R	90.7	Very high	88	Confident	101 Å²	101	49.9 Å²	49.9	38%	0.381	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128	175.9	-167.3	175.1	64.8	-175.1	-2.8	110.1	T69 W70 R108	R64-T69 CarbonylContact C-O 3.58Å; R64-T69 WeakPolarHBondContact CA-O 3.32Å; R64-W70 HydrophobicContact CB-CD2 3.86Å; R64-W70 HydrophobicContact CB-CE3 3.81Å; R64-W70 HydrophobicContact CB-CH2 3.82Å; R64-W70 HydrophobicContact CB-CZ2 3.87Å; R64-W70 HydrophobicContact CB-CZ3 3.78Å; R64-W70 HydrophobicContact CG-CD2 4.25Å; R64-W70 HydrophobicContact CG-CZ2 4.18Å; R64-R108 PolarHBondContact N-O 2.91Å; R64-R108 VanDerWaalsContact O-CZ 3.23Å; R64-R108 PolarHBondContact O-NE 2.98Å; R64-R108 PolarHBondContact O-NH2 3.33Å
65	R	89.1	Confident	88.2	Confident	48 Å²	48	44.5 Å²	44.5	18%	0.181	24%	0.24	C	C	.	.			trans	-86	166.8	175	-72.3	-171.7	74.2	-169.9	-3	112.3	D67 S68 T69 H71 Y93	R65-D67 VanDerWaalsContact CB-OD1 3.27Å; R65-D67 WeakPolarHBondContact CB-OD1 3.44Å; R65-D67 PolarHBondContact O-N 3.4Å; R65-S68 WeakPolarHBondContact O-CA 3.42Å; R65-S68 PolarHBondContact O-N 3.37Å; R65-T69 PolarHBondContact N-O 3.03Å; R65-H71 WeakPolarHBondContact CD-CD2 3.47Å; R65-Y93 HydrophobicContact CG-CD1 4.44Å; R65-Y93 HydrophobicContact CG-CE1 3.66Å; R65-Y93 HydrophobicContact CG-CE2 4.26Å
66	P	84.6	Confident	88.3	Confident	101 Å²	101	44.6 Å²	44.6	66%	0.656	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.1	179.5	-25.9	36.6	0	0	0	114.3	S68	P66-S68 PolarHBondContact O-N 2.99Å
67	D	87.1	Confident	88.4	Confident	97 Å²	97	42.9 Å²	42.9	52%	0.519	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	10.6	173.2	67.7	-2.6	0	0	0	113.5	R65 T69	R65-D67 VanDerWaalsContact CB-OD1 3.27Å; R65-D67 WeakPolarHBondContact CB-OD1 3.44Å; R65-D67 PolarHBondContact O-N 3.4Å; D67-T69 PolarHBondContact O-N 3.22Å; D67-T69 WeakPolarHBondContact OD1-CB 3.18Å; D67-T69 PolarHBondContact OD1-N 3.34Å; D67-T69 PolarHBondContact OD1-OG1 2.67Å; D67-T69 PolarHBondContact OD2-OG1 2.73Å; D67-T69 VanDerWaalsContact OD2-OG1 3.14Å
68	S	84.9	Confident	88.4	Confident	87 Å²	87	40.1 Å²	40.1	61%	0.608	22%	0.222	S	C	*	.	S	Bend	trans	63.6	12.9	-177.1	-55.8	0	0	0	0	115.2	R65 P66	R65-S68 WeakPolarHBondContact O-CA 3.42Å; R65-S68 PolarHBondContact O-N 3.37Å; P66-S68 PolarHBondContact O-N 2.99Å
69	T	88.1	Confident	88.4	Confident	21 Å²	21	39.7 Å²	39.7	13%	0.129	21%	0.207	C	C	.	.			trans	-87.2	149.9	173.7	66.5	0	0	0	0	111.5	R64 R65 D67 H71	R64-T69 CarbonylContact C-O 3.58Å; R64-T69 WeakPolarHBondContact CA-O 3.32Å; R65-T69 PolarHBondContact N-O 3.03Å; D67-T69 PolarHBondContact O-N 3.22Å; D67-T69 WeakPolarHBondContact OD1-CB 3.18Å; D67-T69 PolarHBondContact OD1-N 3.34Å; D67-T69 PolarHBondContact OD1-OG1 2.67Å; D67-T69 PolarHBondContact OD2-OG1 2.73Å; D67-T69 VanDerWaalsContact OD2-OG1 3.14Å; T69-H71 PolarHBondContact OG1-CD2 3.46Å; T69-H71 PolarHBondContact OG1-NE2 3.3Å
70	W	86.4	Confident	88.3	Confident	51 Å²	51	41.5 Å²	41.5	19%	0.193	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.6	-179.2	-69.5	90.3	0	0	0	111.1	V41 P43 L62 R64 R108 A110	V41-W70 PolarHBondContact N-O 3.47Å; V41-W70 VanDerWaalsContact N-O 3.1Å; V41-W70 WeakPolarHBondContact O-CB 3.48Å; P43-W70 HydrophobicContact CB-CD2 4.39Å; P43-W70 HydrophobicContact CB-CG 4.38Å; P43-W70 HydrophobicContact CG-CD2 4.34Å; P43-W70 HydrophobicContact CG-CG 4.03Å; L62-W70 HydrophobicContact CB-CE3 4.03Å; L62-W70 HydrophobicContact CB-CZ3 4.49Å; L62-W70 HydrophobicContact CD2-CB 3.74Å; L62-W70 WeakPolarHBondContact O-CZ3 3.5Å; R64-W70 HydrophobicContact CB-CD2 3.86Å; R64-W70 HydrophobicContact CB-CE3 3.81Å; R64-W70 HydrophobicContact CB-CH2 3.82Å; R64-W70 HydrophobicContact CB-CZ2 3.87Å; R64-W70 HydrophobicContact CB-CZ3 3.78Å; R64-W70 HydrophobicContact CG-CD2 4.25Å; R64-W70 HydrophobicContact CG-CZ2 4.18Å; W70-R108 WeakPolarHBondContact CZ3-O 3.46Å; W70-A110 HydrophobicContact CE3-CB 4.46Å; W70-A110 HydrophobicContact CH2-CB 4.12Å; W70-A110 HydrophobicContact CZ3-CB 3.74Å
71	H	88.2	Confident	88.1	Confident	11 Å²	11	40.9 Å²	40.9	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.1	-176	-64	-96.8	0	0	0	110.1	G39 C63 R65 T69 A73 Y93 F96	G39-H71 PolarHBondContact O-ND1 2.91Å; C63-H71 PolarHBondContact N-O 3.4Å; C63-H71 PolarHBondContact O-N 3.1Å; R65-H71 WeakPolarHBondContact CD-CD2 3.47Å; T69-H71 PolarHBondContact OG1-CD2 3.46Å; T69-H71 PolarHBondContact OG1-NE2 3.3Å; H71-A73 PolarHBondContact O-N 2.99Å; H71-Y93 HydrophobicContact CB-CD1 3.7Å; H71-Y93 HydrophobicContact CB-CE1 4.14Å; H71-F96 AromaticContact CE1-CZ 3.77Å; H71-F96 AromaticContact ND1-CE2 3.47Å; H71-F96 WeakPolarHBondContact ND1-CE2 3.39Å; H71-F96 AromaticContact ND1-CZ 3.54Å
72	S	88.2	Confident	87.5	Confident	22 Å²	22	47.8 Å²	47.8	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.4	168.9	-60.8	0	0	0	0	109.8	V94	S72-V94 PolarHBondContact O-N 2.7Å
73	A	90.7	Very high	86.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	131.8	-179.4	0	0	0	0	0	111.8	T60 Y61 C63 H71 V91 H92 Y93	T60-A73 CarbonylContact C-O 3.44Å; T60-A73 WeakPolarHBondContact CA-O 3.28Å; Y61-A73 PolarHBondContact N-O 2.65Å; Y61-A73 PolarHBondContact O-N 2.78Å; C63-A73 HydrophobicContact CB-CB 3.71Å; H71-A73 PolarHBondContact O-N 2.99Å; A73-V91 HydrophobicContact CB-CB 3.98Å; A73-V91 HydrophobicContact CB-CG2 4.44Å; A73-H92 CarbonylContact C-O 3.59Å; A73-H92 WeakPolarHBondContact CA-O 3.32Å; A73-Y93 HydrophobicContact CB-CD1 3.8Å; A73-Y93 HydrophobicContact CB-CE1 4.04Å
74	E	90.9	Very high	86.1	Confident	59 Å²	59	56.5 Å²	56.5	28%	0.276	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.8	172.7	-175.4	-169.3	147.4	0	0	109	I76 V91 H92	E74-I76 HydrophobicContact CG-CG1 4.49Å; E74-I76 PolarHBondContact O-N 3.12Å; E74-V91 VanDerWaalsContact O-CA 3.31Å; E74-V91 WeakPolarHBondContact O-CA 3.41Å; E74-H92 PolarHBondContact N-O 3.36Å; E74-H92 PolarHBondContact O-N 3.39Å
75	V	90.6	Very high	85.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112	172.7	174.4	0	0	0	0	108.6	V55 G58 E59 Y61 F89 V91 L109	V55-V75 HydrophobicContact CG1-CB 4.36Å; V55-V75 HydrophobicContact CG1-CG1 4Å; V55-V75 HydrophobicContact CG1-CG2 3.87Å; G58-V75 PolarHBondContact N-O 3.18Å; E59-V75 PolarHBondContact O-N 3.49Å; Y61-V75 HydrophobicContact CD2-CB 4.44Å; Y61-V75 HydrophobicContact CD2-CG2 3.55Å; Y61-V75 HydrophobicContact CE2-CB 4.45Å; Y61-V75 HydrophobicContact CE2-CG2 3.92Å; V75-F89 HydrophobicContact CG1-CB 4.16Å; V75-F89 HydrophobicContact CG1-CD1 4.01Å; V75-F89 HydrophobicContact CG1-CG 4.49Å; V75-V91 HydrophobicContact CG2-CG1 4.08Å; V75-L109 HydrophobicContact CG2-CD1 4.33Å
76	I	88.2	Confident	85.3	Confident	24 Å²	24	58.7 Å²	58.7	12%	0.123	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-36.7	-175	-64.6	168.1	0	0	0	111.7	I57 E74 Y90 H92 K175 V176	I57-I76 WeakPolarHBondContact CG2-O 3.34Å; E74-I76 HydrophobicContact CG-CG1 4.49Å; E74-I76 PolarHBondContact O-N 3.12Å; I76-Y90 HydrophobicContact CB-CD1 4.1Å; I76-Y90 HydrophobicContact CD1-CD1 4.13Å; I76-Y90 HydrophobicContact CD1-CE1 4.21Å; I76-Y90 HydrophobicContact CG2-CD1 4.44Å; I76-Y90 PolarHBondContact N-O 3.49Å; I76-H92 HydrophobicContact CD1-CB 3.41Å; I76-H92 VanDerWaalsContact CD1-CB 3.41Å; I76-H92 HydrophobicContact CG1-CB 4.28Å; I76-K175 HydrophobicContact CG2-CD 4.2Å; I76-V176 HydrophobicContact CG2-CG2 3.81Å
77	Q	88.4	Confident	85.4	Confident	58 Å²	58	58.5 Å²	58.5	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155.8	-177.3	-167.7	168.3	10.7	0	0	110.8	F89 Y90 W103 V176 Y178	Q77-F89 CarbonylContact O-C 3.52Å; Q77-F89 WeakPolarHBondContact O-CA 3.25Å; Q77-Y90 PolarHBondContact O-N 3.16Å; Q77-W103 HydrophobicContact CB-CH2 4.06Å; Q77-W103 HydrophobicContact CG-CH2 4.02Å; Q77-V176 HydrophobicContact CB-CG2 4.18Å; Q77-Y178 PolarHBondContact NE2-OH 2.93Å; Q77-Y178 PolarHBondContact OE1-OH 3.32Å; Q77-Y178 VanDerWaalsContact OE1-OH 3.11Å
78	S	89.4	Confident	85.6	Confident	45 Å²	45	54.7 Å²	54.7	32%	0.315	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.7	167.2	62.4	0	0	0	0	111.4	E88	S78-E88 CarbonylContact C-O 3.58Å; S78-E88 WeakPolarHBondContact CA-O 3.32Å
79	R	86.6	Confident	85.9	Confident	32 Å²	32	50.8 Å²	50.8	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160	172.2	77.3	-178.4	-178.9	-168.2	-4.1	111.1	E87 E88 W103 Y178 D180	R79-E87 WeakPolarHBondContact O-CA 3.37Å; R79-E88 HydrophobicContact CG-CB 4.2Å; R79-E88 IonicContact CZ-OE2 2.85Å; R79-E88 PolarHBondContact N-O 3.01Å; R79-E88 IonicContact NE-OE2 2.58Å; R79-E88 PolarHBondContact NE-OE2 3.21Å; R79-E88 IonicContact NH2-OE2 2.7Å; R79-E88 PolarHBondContact NH2-OE2 3.14Å; R79-E88 PolarHBondContact O-N 3.02Å; R79-W103 HydrophobicContact CB-CE3 4.43Å; R79-W103 HydrophobicContact CB-CH2 3.74Å; R79-W103 HydrophobicContact CB-CZ3 3.71Å; R79-W103 HydrophobicContact CG-CD2 4.2Å; R79-W103 HydrophobicContact CG-CE3 3.65Å; R79-W103 HydrophobicContact CG-CH2 3.77Å; R79-W103 HydrophobicContact CG-CZ2 4.28Å; R79-W103 HydrophobicContact CG-CZ3 3.44Å; R79-W103 VanDerWaalsContact CG-CZ3 3.44Å; R79-Y178 PolarHBondContact NH1-O 3.23Å; R79-D180 IonicContact CZ-OD2 2.72Å; R79-D180 IonicContact NH1-OD2 2.8Å; R79-D180 IonicContact NH2-OD2 3.83Å; R79-D180 PolarHBondContact NH2-OD2 2.85Å
80	V	85.6	Confident	86	Confident	96 Å²	96	50.2 Å²	50.2	58%	0.582	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	121.6	163.2	-178	0	0	0	0	107.6	D82	V80-D82 PolarHBondContact O-N 2.98Å
81	N	82	Confident	86.3	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	100.6	175.2	179.2	-20.2	0	0	0	108.9	Q83 E84 G85 R86 E88	N81-Q83 PolarHBondContact O-N 3.16Å; N81-Q83 VanDerWaalsContact O-N 3.16Å; N81-Q83 WeakPolarHBondContact OD1-CB 3.23Å; N81-Q83 PolarHBondContact OD1-N 2.74Å; N81-E84 HydrophobicContact CB-CB 4.49Å; N81-E84 PolarHBondContact O-N 3.23Å; N81-E84 PolarHBondContact OD1-N 2.97Å; N81-E84 VanDerWaalsContact OD1-N 3.12Å; N81-G85 WeakPolarHBondContact O-CA 3.31Å; N81-G85 PolarHBondContact O-N 2.77Å; N81-R86 PolarHBondContact N-O 2.77Å; N81-E88 HydrophobicContact CB-CG 4.4Å; N81-E88 PolarHBondContact ND2-OE1 2.75Å
82	D	77.1	Confident	86.4	Confident	145 Å²	145	49 Å²	49	78%	0.775	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23	-178.8	-66.4	-30	0	0	0	113.7	V80	V80-D82 PolarHBondContact O-N 2.98Å
83	Q	74.5	Confident	86.4	Confident	75 Å²	75	48 Å²	48	35%	0.35	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-35.1	178.4	-60	-169.3	2.9	0	0	112.2	N81 P205	N81-Q83 PolarHBondContact O-N 3.16Å; N81-Q83 VanDerWaalsContact O-N 3.16Å; N81-Q83 WeakPolarHBondContact OD1-CB 3.23Å; N81-Q83 PolarHBondContact OD1-N 2.74Å; Q83-P205 HydrophobicContact CB-CG 4.28Å; Q83-P205 HydrophobicContact CG-CG 4.12Å
84	E	76.6	Confident	86	Confident	111 Å²	111	49.9 Å²	49.9	52%	0.519	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-11.8	-174.7	-60.8	-165.5	-176.6	0	0	113.9	N81 R86	N81-E84 HydrophobicContact CB-CB 4.49Å; N81-E84 PolarHBondContact O-N 3.23Å; N81-E84 PolarHBondContact OD1-N 2.97Å; N81-E84 VanDerWaalsContact OD1-N 3.12Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 HydrophobicContact CB-CG 4.48Å; E84-R86 PolarHBondContact O-N 3.22Å
85	G	78.8	Confident	85.4	Confident	65 Å²	65	50.1 Å²	50.1	67%	0.67	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	26.7	-178.9	0	0	0	0	0	114	N81	N81-G85 WeakPolarHBondContact O-CA 3.31Å; N81-G85 PolarHBondContact O-N 2.77Å
86	R	83.9	Confident	85	Confident	129 Å²	129	52.7 Å²	52.7	49%	0.487	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.8	-175.9	-60.8	-177.6	-167.5	175.5	7.9	111.8	N81 E84 D105	N81-R86 PolarHBondContact N-O 2.77Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 HydrophobicContact CB-CG 4.48Å; E84-R86 PolarHBondContact O-N 3.22Å; R86-D105 IonicContact NH1-OD2 3.76Å
87	E	87.8	Confident	84.6	Confident	98 Å²	98	55.5 Å²	55.5	46%	0.458	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.5	170.5	-172.6	178.3	-142.8	0	0	109.8	R79 F89	R79-E87 WeakPolarHBondContact O-CA 3.37Å; E87-F89 HydrophobicContact CG-CE1 4.42Å; E87-F89 HydrophobicContact CG-CE2 4.12Å; E87-F89 HydrophobicContact CG-CZ 3.8Å
88	E	91.1	Very high	84.3	Confident	16 Å²	16	57.7 Å²	57.7	8%	0.075	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.4	-178.2	-65.6	172.6	169.7	0	0	110.3	S78 R79 N81 W103 V104	S78-E88 CarbonylContact C-O 3.58Å; S78-E88 WeakPolarHBondContact CA-O 3.32Å; R79-E88 HydrophobicContact CG-CB 4.2Å; R79-E88 IonicContact CZ-OE2 2.85Å; R79-E88 PolarHBondContact N-O 3.01Å; R79-E88 IonicContact NE-OE2 2.58Å; R79-E88 PolarHBondContact NE-OE2 3.21Å; R79-E88 IonicContact NH2-OE2 2.7Å; R79-E88 PolarHBondContact NH2-OE2 3.14Å; R79-E88 PolarHBondContact O-N 3.02Å; N81-E88 HydrophobicContact CB-CG 4.4Å; N81-E88 PolarHBondContact ND2-OE1 2.75Å; E88-W103 HydrophobicContact CB-CB 4.3Å; E88-W103 HydrophobicContact CB-CE3 3.87Å; E88-V104 WeakPolarHBondContact CA-O 3.49Å
89	F	90.9	Very high	83.8	Confident	6 Å²	6	62 Å²	62	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126	-179.7	-58.1	-82.8	0	0	0	110	V55 V75 Q77 E87 V91 W103 V104 K106 L109	V55-F89 HydrophobicContact CB-CD1 4.07Å; V55-F89 HydrophobicContact CB-CE1 3.51Å; V55-F89 HydrophobicContact CB-CE2 4.37Å; V55-F89 HydrophobicContact CB-CZ 3.69Å; V55-F89 HydrophobicContact CG1-CD1 3.58Å; V55-F89 HydrophobicContact CG1-CE1 3.58Å; V55-F89 HydrophobicContact CG1-CG 4.12Å; V55-F89 HydrophobicContact CG1-CZ 4.12Å; V55-F89 HydrophobicContact CG2-CE1 4.03Å; V55-F89 HydrophobicContact CG2-CE2 3.96Å; V55-F89 HydrophobicContact CG2-CZ 3.69Å; V75-F89 HydrophobicContact CG1-CB 4.16Å; V75-F89 HydrophobicContact CG1-CD1 4.01Å; V75-F89 HydrophobicContact CG1-CG 4.49Å; Q77-F89 CarbonylContact O-C 3.52Å; Q77-F89 WeakPolarHBondContact O-CA 3.25Å; E87-F89 HydrophobicContact CG-CE1 4.42Å; E87-F89 HydrophobicContact CG-CE2 4.12Å; E87-F89 HydrophobicContact CG-CZ 3.8Å; F89-V91 HydrophobicContact CB-CG1 4.46Å; F89-V91 PolarHBondContact O-N 3.09Å; F89-W103 CarbonylContact O-C 3.46Å; F89-W103 WeakPolarHBondContact O-CA 3.39Å; F89-V104 HydrophobicContact CB-CG2 4.4Å; F89-V104 PolarHBondContact N-O 2.99Å; F89-V104 WeakPolarHBondContact O-CG2 3.36Å; F89-V104 PolarHBondContact O-N 3.33Å; F89-K106 HydrophobicContact CE2-CB 3.93Å; F89-K106 HydrophobicContact CE2-CG 4.17Å; F89-L109 HydrophobicContact CB-CD1 4.29Å; F89-L109 HydrophobicContact CD2-CD1 3.87Å; F89-L109 HydrophobicContact CE2-CD1 4.49Å; F89-L109 HydrophobicContact CG-CD1 4.09Å
90	Y	90.9	Very high	83.7	Confident	8 Å²	8	62.7 Å²	62.7	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119.3	173.2	-169.1	-103.5	0	0	0	109.1	I76 Q77 D101 E102 W103 K175 V176 K177	I76-Y90 HydrophobicContact CB-CD1 4.1Å; I76-Y90 HydrophobicContact CD1-CD1 4.13Å; I76-Y90 HydrophobicContact CD1-CE1 4.21Å; I76-Y90 HydrophobicContact CG2-CD1 4.44Å; I76-Y90 PolarHBondContact N-O 3.49Å; Q77-Y90 PolarHBondContact O-N 3.16Å; Y90-D101 HydrophobicContact CE1-CB 3.92Å; Y90-D101 HydrophobicContact CE2-CB 4.22Å; Y90-D101 VanDerWaalsContact OH-CB 3.32Å; Y90-D101 WeakPolarHBondContact OH-CB 3.11Å; Y90-E102 WeakPolarHBondContact CA-O 3.4Å; Y90-W103 AromaticContact CD2-CD1 3.63Å; Y90-W103 HydrophobicContact CD2-CD2 4.04Å; Y90-W103 AromaticContact CD2-CE2 3.76Å; Y90-W103 HydrophobicContact CD2-CG 4.03Å; Y90-W103 HydrophobicContact CD2-CZ2 4.36Å; Y90-W103 AromaticContact CD2-NE1 3.51Å; Y90-W103 HydrophobicContact CG-CD2 4.45Å; Y90-W103 HydrophobicContact CG-CZ2 4.41Å; Y90-K175 VanDerWaalsContact CE1-O 3.24Å; Y90-K175 WeakPolarHBondContact CE1-O 3.46Å; Y90-K175 PolarHBondContact OH-O 2.94Å; Y90-V176 HydrophobicContact CD1-CB 4.23Å; Y90-V176 HydrophobicContact CD1-CG1 3.95Å; Y90-V176 HydrophobicContact CD1-CG2 3.86Å; Y90-V176 HydrophobicContact CD2-CG1 4.02Å; Y90-V176 HydrophobicContact CE1-CB 4.32Å; Y90-V176 HydrophobicContact CE1-CG1 4.33Å; Y90-V176 HydrophobicContact CE1-CG2 4.18Å; Y90-V176 HydrophobicContact CE2-CG1 4.37Å; Y90-V176 HydrophobicContact CG-CG1 3.77Å; Y90-V176 HydrophobicContact CG-CG2 4.46Å; Y90-K177 HydrophobicContact CE2-CB 3.95Å; Y90-K177 PolarHBondContact OH-N 2.84Å
91	V	91.1	Very high	83.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.4	-173.7	-62.4	0	0	0	0	112	A73 E74 V75 F89 Y93 D101 E102 V104 L109	A73-V91 HydrophobicContact CB-CB 3.98Å; A73-V91 HydrophobicContact CB-CG2 4.44Å; E74-V91 VanDerWaalsContact O-CA 3.31Å; E74-V91 WeakPolarHBondContact O-CA 3.41Å; V75-V91 HydrophobicContact CG2-CG1 4.08Å; F89-V91 HydrophobicContact CB-CG1 4.46Å; F89-V91 PolarHBondContact O-N 3.09Å; V91-Y93 HydrophobicContact CG2-CE2 4.27Å; V91-D101 WeakPolarHBondContact O-CA 3.33Å; V91-D101 WeakPolarHBondContact O-CB 3.38Å; V91-E102 HydrophobicContact CG2-CG 4.36Å; V91-E102 WeakPolarHBondContact CG2-O 3.3Å; V91-E102 PolarHBondContact N-O 3.02Å; V91-E102 PolarHBondContact O-N 2.81Å; V91-V104 HydrophobicContact CG1-CG2 3.7Å; V91-V104 HydrophobicContact CG2-CG1 3.78Å; V91-V104 HydrophobicContact CG2-CG2 4.04Å; V91-L109 HydrophobicContact CG1-CD2 4.3Å
92	H	90.3	Very high	84.3	Confident	38 Å²	38	60 Å²	60	18%	0.176	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.9	168.1	173.1	62.9	0	0	0	110.4	A73 E74 I76 V94 F96 D101	A73-H92 CarbonylContact C-O 3.59Å; A73-H92 WeakPolarHBondContact CA-O 3.32Å; E74-H92 PolarHBondContact N-O 3.36Å; E74-H92 PolarHBondContact O-N 3.39Å; I76-H92 HydrophobicContact CD1-CB 3.41Å; I76-H92 VanDerWaalsContact CD1-CB 3.41Å; I76-H92 HydrophobicContact CG1-CB 4.28Å; H92-V94 PolarHBondContact O-N 3.23Å; H92-F96 PolarHBondContact CE1-O 2.96Å; H92-F96 VanDerWaalsContact CE1-O 3.3Å; H92-D101 WeakPolarHBondContact CA-OD1 3.29Å; H92-D101 IonicContact CE1-OD1 3.15Å; H92-D101 IonicContact CG-OD1 3.29Å; H92-D101 IonicContact CG-OD2 3.81Å; H92-D101 IonicContact ND1-OD1 2.64Å; H92-D101 PolarHBondContact ND1-OD1 2.95Å; H92-D101 IonicContact ND1-OD2 3.88Å; H92-D101 PolarHBondContact ND1-OD2 2.79Å
93	Y	88.3	Confident	84.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	118.4	178.8	-67	-72.4	0	0	0	110.7	C63 R65 H71 A73 V91 G95 F96 L100 E102 R108	C63-Y93 HydrophobicContact CB-CE1 3.91Å; C63-Y93 PolarHBondContact SG-OH 3.25Å; R65-Y93 HydrophobicContact CG-CD1 4.44Å; R65-Y93 HydrophobicContact CG-CE1 3.66Å; R65-Y93 HydrophobicContact CG-CE2 4.26Å; H71-Y93 HydrophobicContact CB-CD1 3.7Å; H71-Y93 HydrophobicContact CB-CE1 4.14Å; A73-Y93 HydrophobicContact CB-CD1 3.8Å; A73-Y93 HydrophobicContact CB-CE1 4.04Å; V91-Y93 HydrophobicContact CG2-CE2 4.27Å; Y93-G95 PolarHBondContact O-N 2.97Å; Y93-F96 WeakPolarHBondContact O-CB 3.44Å; Y93-F96 PolarHBondContact O-N 3Å; Y93-L100 HydrophobicContact CD2-CB 4.42Å; Y93-L100 WeakPolarHBondContact CD2-O 3.46Å; Y93-L100 WeakPolarHBondContact CE2-O 3.39Å; Y93-E102 HydrophobicContact CE2-CG 4.02Å; Y93-E102 PolarHBondContact OH-OE1 3.26Å; Y93-R108 PolarHBondContact OH-NH2 2.9Å
94	V	83.4	Confident	85.6	Confident	40 Å²	40	50.5 Å²	50.5	24%	0.242	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	125.2	-175.5	179.2	0	0	0	0	110.3	T60 S72 H92 F96 Y126	T60-V94 HydrophobicContact CG2-CG2 4.23Å; S72-V94 PolarHBondContact O-N 2.7Å; H92-V94 PolarHBondContact O-N 3.23Å; V94-F96 VanDerWaalsContact C-N 3.3Å; V94-F96 WeakPolarHBondContact O-CD2 3.32Å; V94-F96 PolarHBondContact O-N 2.76Å; V94-Y126 HydrophobicContact CG1-CD1 4.43Å; V94-Y126 HydrophobicContact CG1-CE1 4.32Å
95	G	77.6	Confident	86.3	Confident	63 Å²	63	47 Å²	47	65%	0.649	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	5.8	-179.4	0	0	0	0	0	114.9	Y93	Y93-G95 PolarHBondContact O-N 2.97Å
96	F	81.8	Confident	86.7	Confident	55 Å²	55	47.7 Å²	47.7	24%	0.241	23%	0.229	C	C	.	.	S	Bend	trans	-109	160	176.1	-69.7	-90.4	0	0	0	112	P38 H71 H92 Y93 V94 L100	P38-F96 WeakPolarHBondContact O-CZ 3.42Å; H71-F96 AromaticContact CE1-CZ 3.77Å; H71-F96 AromaticContact ND1-CE2 3.47Å; H71-F96 WeakPolarHBondContact ND1-CE2 3.39Å; H71-F96 AromaticContact ND1-CZ 3.54Å; H92-F96 PolarHBondContact CE1-O 2.96Å; H92-F96 VanDerWaalsContact CE1-O 3.3Å; Y93-F96 WeakPolarHBondContact O-CB 3.44Å; Y93-F96 PolarHBondContact O-N 3Å; V94-F96 VanDerWaalsContact C-N 3.3Å; V94-F96 WeakPolarHBondContact O-CD2 3.32Å; V94-F96 PolarHBondContact O-N 2.76Å; F96-L100 HydrophobicContact CB-CD1 4.09Å; F96-L100 HydrophobicContact CD1-CD1 3.79Å; F96-L100 HydrophobicContact CG-CD1 4.3Å
97	N	80.3	Confident	86.8	Confident	82 Å²	82	46.6 Å²	46.6	44%	0.439	23%	0.233	S	C	.	.			trans	-70.9	138.9	176.5	-176.5	-72.9	0	0	0	110.7	R99 L100	N97-R99 HydrophobicContact CB-CG 4.21Å; N97-R99 PolarHBondContact O-N 2.89Å; N97-R99 VanDerWaalsContact OD1-CB 3.29Å; N97-R99 WeakPolarHBondContact OD1-CB 3.3Å; N97-R99 VanDerWaalsContact OD1-CG 3.24Å; N97-R99 WeakPolarHBondContact OD1-CG 3.22Å; N97-R99 PolarHBondContact OD1-N 2.58Å; N97-L100 WeakPolarHBondContact O-CB 3.35Å; N97-L100 PolarHBondContact O-N 3.29Å
98	R	82.1	Confident	86.9	Confident	104 Å²	104	43.8 Å²	43.8	39%	0.392	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-53.8	-20.2	-179.6	-70.3	-174	180	150.1	1	115.1	L100 D101 E171	R98-L100 PolarHBondContact O-N 3.41Å; R98-D101 WeakPolarHBondContact CA-OD1 3.26Å; R98-D101 VanDerWaalsContact O-CB 3.22Å; R98-D101 WeakPolarHBondContact O-CB 3.4Å; R98-D101 PolarHBondContact O-N 2.98Å; R98-E171 IonicContact CZ-OE2 3.6Å; R98-E171 IonicContact NH1-OE2 3.7Å; R98-E171 PolarHBondContact NH1-OE2 3.24Å; R98-E171 IonicContact NH2-OE2 3.75Å
99	R	79.3	Confident	86.8	Confident	135 Å²	135	43.5 Å²	43.5	51%	0.509	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-59.5	-17	171.8	79.1	-176	-170.1	-174.8	-1.7	114.2	N97 W192 Y193	N97-R99 HydrophobicContact CB-CG 4.21Å; N97-R99 PolarHBondContact O-N 2.89Å; N97-R99 VanDerWaalsContact OD1-CB 3.29Å; N97-R99 WeakPolarHBondContact OD1-CB 3.3Å; N97-R99 VanDerWaalsContact OD1-CG 3.24Å; N97-R99 WeakPolarHBondContact OD1-CG 3.22Å; N97-R99 PolarHBondContact OD1-N 2.58Å; R99-W192 WeakPolarHBondContact CA-O 3.46Å; R99-W192 HydrophobicContact CB-CB 4.28Å; R99-Y193 HydrophobicContact CB-CE1 4.36Å
100	L	84.7	Confident	86.5	Confident	47 Å²	47	44 Å²	44	25%	0.246	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-95.8	-4.1	178.3	-63.2	-179.3	0	0	0	112.4	Y93 F96 N97 R98	Y93-L100 HydrophobicContact CD2-CB 4.42Å; Y93-L100 WeakPolarHBondContact CD2-O 3.46Å; Y93-L100 WeakPolarHBondContact CE2-O 3.39Å; F96-L100 HydrophobicContact CB-CD1 4.09Å; F96-L100 HydrophobicContact CD1-CD1 3.79Å; F96-L100 HydrophobicContact CG-CD1 4.3Å; N97-L100 WeakPolarHBondContact O-CB 3.35Å; N97-L100 PolarHBondContact O-N 3.29Å; R98-L100 PolarHBondContact O-N 3.41Å
101	D	88.8	Confident	86.2	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.032	22%	0.223	C	C	.	.			trans	-66.5	140.6	175.9	-60.3	-2.1	0	0	0	109.2	Y90 V91 H92 R98	Y90-D101 HydrophobicContact CE1-CB 3.92Å; Y90-D101 HydrophobicContact CE2-CB 4.22Å; Y90-D101 VanDerWaalsContact OH-CB 3.32Å; Y90-D101 WeakPolarHBondContact OH-CB 3.11Å; V91-D101 WeakPolarHBondContact O-CA 3.33Å; V91-D101 WeakPolarHBondContact O-CB 3.38Å; H92-D101 WeakPolarHBondContact CA-OD1 3.29Å; H92-D101 IonicContact CE1-OD1 3.15Å; H92-D101 IonicContact CG-OD1 3.29Å; H92-D101 IonicContact CG-OD2 3.81Å; H92-D101 IonicContact ND1-OD1 2.64Å; H92-D101 PolarHBondContact ND1-OD1 2.95Å; H92-D101 IonicContact ND1-OD2 3.88Å; H92-D101 PolarHBondContact ND1-OD2 2.79Å; R98-D101 WeakPolarHBondContact CA-OD1 3.26Å; R98-D101 VanDerWaalsContact O-CB 3.22Å; R98-D101 WeakPolarHBondContact O-CB 3.4Å; R98-D101 PolarHBondContact O-N 2.98Å
102	E	90.4	Very high	85.6	Confident	38 Å²	38	45.2 Å²	45.2	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.7	-173.3	55.3	173.5	139.5	0	0	111.3	Y90 V91 Y93 V104 R108	Y90-E102 WeakPolarHBondContact CA-O 3.4Å; V91-E102 HydrophobicContact CG2-CG 4.36Å; V91-E102 WeakPolarHBondContact CG2-O 3.3Å; V91-E102 PolarHBondContact N-O 3.02Å; V91-E102 PolarHBondContact O-N 2.81Å; Y93-E102 HydrophobicContact CE2-CG 4.02Å; Y93-E102 PolarHBondContact OH-OE1 3.26Å; E102-V104 HydrophobicContact CG-CG1 3.76Å; E102-R108 VanDerWaalsContact CD-NH2 3.28Å; E102-R108 IonicContact OE1-CZ 2.94Å; E102-R108 IonicContact OE1-NH1 3.53Å; E102-R108 IonicContact OE1-NH2 3.47Å; E102-R108 PolarHBondContact OE1-NH2 3.34Å; E102-R108 IonicContact OE2-CZ 3.93Å; E102-R108 IonicContact OE2-NH1 2.67Å; E102-R108 PolarHBondContact OE2-NH1 3.04Å; E102-R108 IonicContact OE2-NH2 3.91Å; E102-R108 PolarHBondContact OE2-NH2 3.06Å
103	W	89.6	Confident	84.8	Confident	18 Å²	18	49.5 Å²	49.5	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.8	163.5	-69.7	88.5	0	0	0	109.7	Q77 R79 E88 F89 Y90 V176 K177 Y178 D180	Q77-W103 HydrophobicContact CB-CH2 4.06Å; Q77-W103 HydrophobicContact CG-CH2 4.02Å; R79-W103 HydrophobicContact CB-CE3 4.43Å; R79-W103 HydrophobicContact CB-CH2 3.74Å; R79-W103 HydrophobicContact CB-CZ3 3.71Å; R79-W103 HydrophobicContact CG-CD2 4.2Å; R79-W103 HydrophobicContact CG-CE3 3.65Å; R79-W103 HydrophobicContact CG-CH2 3.77Å; R79-W103 HydrophobicContact CG-CZ2 4.28Å; R79-W103 HydrophobicContact CG-CZ3 3.44Å; R79-W103 VanDerWaalsContact CG-CZ3 3.44Å; E88-W103 HydrophobicContact CB-CB 4.3Å; E88-W103 HydrophobicContact CB-CE3 3.87Å; F89-W103 CarbonylContact O-C 3.46Å; F89-W103 WeakPolarHBondContact O-CA 3.39Å; Y90-W103 AromaticContact CD2-CD1 3.63Å; Y90-W103 HydrophobicContact CD2-CD2 4.04Å; Y90-W103 AromaticContact CD2-CE2 3.76Å; Y90-W103 HydrophobicContact CD2-CG 4.03Å; Y90-W103 HydrophobicContact CD2-CZ2 4.36Å; Y90-W103 AromaticContact CD2-NE1 3.51Å; Y90-W103 HydrophobicContact CG-CD2 4.45Å; Y90-W103 HydrophobicContact CG-CZ2 4.41Å; W103-V176 HydrophobicContact CH2-CG1 4.22Å; W103-V176 HydrophobicContact CZ2-CG1 3.46Å; W103-V176 VanDerWaalsContact CZ2-CG1 3.46Å; W103-K177 PolarHBondContact NE1-O 3.13Å; W103-Y178 HydrophobicContact CZ2-CD1 4.09Å; W103-Y178 HydrophobicContact CZ2-CE1 4.21Å; W103-D180 VanDerWaalsContact CD1-CG 3.43Å
104	V	90.8	Very high	84	Confident	1 Å²	1	53 Å²	53	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.4	179.3	-56.5	0	0	0	0	111.4	E88 F89 V91 E102 R108 L109	E88-V104 WeakPolarHBondContact CA-O 3.49Å; F89-V104 HydrophobicContact CB-CG2 4.4Å; F89-V104 PolarHBondContact N-O 2.99Å; F89-V104 WeakPolarHBondContact O-CG2 3.36Å; F89-V104 PolarHBondContact O-N 3.33Å; V91-V104 HydrophobicContact CG1-CG2 3.7Å; V91-V104 HydrophobicContact CG2-CG1 3.78Å; V91-V104 HydrophobicContact CG2-CG2 4.04Å; E102-V104 HydrophobicContact CG-CG1 3.76Å; V104-R108 HydrophobicContact CB-CB 4.11Å; V104-R108 VanDerWaalsContact CG1-CZ 3.47Å; V104-L109 HydrophobicContact CG2-CD2 4.07Å; V104-L109 HydrophobicContact CG2-CG 4.31Å
105	D	89.6	Confident	83.5	Confident	39 Å²	39	51.2 Å²	51.2	21%	0.209	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	151.2	169	-76.5	-38.9	0	0	0	111.2	R86 N107 R108	R86-D105 IonicContact NH1-OD2 3.76Å; D105-N107 WeakPolarHBondContact CB-OD1 3.49Å; D105-N107 PolarHBondContact O-N 2.75Å; D105-R108 WeakPolarHBondContact O-CB 3.4Å; D105-R108 PolarHBondContact O-N 2.7Å
106	K	87.5	Confident	83.2	Confident	78 Å²	78	49.4 Å²	49.4	34%	0.339	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-48.8	-36	172.6	-167.4	-178	171.6	-161.2	0	113	E52 F89 R108 L109 L111	E52-K106 WeakPolarHBondContact OE2-CE 3.44Å; E52-K106 IonicContact OE2-NZ 3.15Å; E52-K106 PolarHBondContact OE2-NZ 2.84Å; F89-K106 HydrophobicContact CE2-CB 3.93Å; F89-K106 HydrophobicContact CE2-CG 4.17Å; K106-R108 PolarHBondContact O-N 2.83Å; K106-L109 PolarHBondContact O-N 3.47Å; K106-L109 VanDerWaalsContact O-N 3.13Å; K106-L111 HydrophobicContact CD-CD1 4.08Å; K106-L111 HydrophobicContact CG-CD1 3.53Å
107	N	86.9	Confident	82.7	Confident	107 Å²	107	50.6 Å²	50.6	57%	0.572	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-68.9	-12.4	-178.3	68.4	15	0	0	0	114.6	D105	D105-N107 WeakPolarHBondContact CB-OD1 3.49Å; D105-N107 PolarHBondContact O-N 2.75Å
108	R	89.6	Confident	82.2	Confident	38 Å²	38	48.4 Å²	48.4	14%	0.143	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-88.7	-10	175.3	-69.1	-179.3	60.7	-173.4	-8.9	112.1	C63 R64 W70 Y93 E102 V104 D105 K106	C63-R108 CarbonylContact C-O 3.5Å; C63-R108 WeakPolarHBondContact CA-O 3.2Å; R64-R108 PolarHBondContact N-O 2.91Å; R64-R108 VanDerWaalsContact O-CZ 3.23Å; R64-R108 PolarHBondContact O-NE 2.98Å; R64-R108 PolarHBondContact O-NH2 3.33Å; W70-R108 WeakPolarHBondContact CZ3-O 3.46Å; Y93-R108 PolarHBondContact OH-NH2 2.9Å; E102-R108 VanDerWaalsContact CD-NH2 3.28Å; E102-R108 IonicContact OE1-CZ 2.94Å; E102-R108 IonicContact OE1-NH1 3.53Å; E102-R108 IonicContact OE1-NH2 3.47Å; E102-R108 PolarHBondContact OE1-NH2 3.34Å; E102-R108 IonicContact OE2-CZ 3.93Å; E102-R108 IonicContact OE2-NH1 2.67Å; E102-R108 PolarHBondContact OE2-NH1 3.04Å; E102-R108 IonicContact OE2-NH2 3.91Å; E102-R108 PolarHBondContact OE2-NH2 3.06Å; V104-R108 HydrophobicContact CB-CB 4.11Å; V104-R108 VanDerWaalsContact CG1-CZ 3.47Å; D105-R108 WeakPolarHBondContact O-CB 3.4Å; D105-R108 PolarHBondContact O-N 2.7Å; K106-R108 PolarHBondContact O-N 2.83Å
109	L	88.9	Confident	81.7	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.052	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135	176.3	-57.9	177.4	0	0	0	109.9	V55 L62 C63 V75 F89 V91 V104 K106 L111	V55-L109 HydrophobicContact CG1-CD1 3.94Å; V55-L109 HydrophobicContact CG2-CD1 3.9Å; L62-L109 WeakPolarHBondContact O-CA 3.36Å; C63-L109 HydrophobicContact CB-CD2 3.84Å; V75-L109 HydrophobicContact CG2-CD1 4.33Å; F89-L109 HydrophobicContact CB-CD1 4.29Å; F89-L109 HydrophobicContact CD2-CD1 3.87Å; F89-L109 HydrophobicContact CE2-CD1 4.49Å; F89-L109 HydrophobicContact CG-CD1 4.09Å; V91-L109 HydrophobicContact CG1-CD2 4.3Å; V104-L109 HydrophobicContact CG2-CD2 4.07Å; V104-L109 HydrophobicContact CG2-CG 4.31Å; K106-L109 PolarHBondContact O-N 3.47Å; K106-L109 VanDerWaalsContact O-N 3.13Å; L109-L111 HydrophobicContact CB-CD1 4.43Å; L109-L111 HydrophobicContact CB-CD2 3.61Å; L109-L111 HydrophobicContact CB-CG 3.91Å; L109-L111 HydrophobicContact CD1-CD2 4.36Å; L109-L111 PolarHBondContact O-N 3.18Å
110	A	85.8	Confident	81.2	Confident	16 Å²	16	39.8 Å²	39.8	13%	0.132	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	101.1	171.4	0	0	0	0	0	109.2	L62 W70 V115	L62-A110 HydrophobicContact CB-CB 3.93Å; L62-A110 PolarHBondContact O-N 3.43Å; W70-A110 HydrophobicContact CE3-CB 4.46Å; W70-A110 HydrophobicContact CH2-CB 4.12Å; W70-A110 HydrophobicContact CZ3-CB 3.74Å; A110-V115 HydrophobicContact CB-CB 4.38Å; A110-V115 HydrophobicContact CB-CG1 3.66Å
111	L	82.8	Confident	80.5	Confident	11 Å²	11	44.6 Å²	44.6	6%	0.058	23%	0.225	C	C	.	.			trans	-102.5	10.3	-168	-59.7	179.1	0	0	0	114.9	V53 V55 Y61 K106 L109	V53-L111 WeakPolarHBondContact CG2-O 2.83Å; V53-L111 PolarHBondContact N-O 3.36Å; V55-L111 HydrophobicContact CG2-CD1 3.82Å; V55-L111 HydrophobicContact CG2-CD2 3.67Å; V55-L111 HydrophobicContact CG2-CG 4.41Å; Y61-L111 HydrophobicContact CD1-CD2 3.84Å; Y61-L111 HydrophobicContact CE1-CD2 4.05Å; K106-L111 HydrophobicContact CD-CD1 4.08Å; K106-L111 HydrophobicContact CG-CD1 3.53Å; L109-L111 HydrophobicContact CB-CD1 4.43Å; L109-L111 HydrophobicContact CB-CD2 3.61Å; L109-L111 HydrophobicContact CB-CG 3.91Å; L109-L111 HydrophobicContact CD1-CD2 4.36Å; L109-L111 PolarHBondContact O-N 3.18Å
112	T	79.2	Confident	79.5	Confident	24 Å²	24	48.5 Å²	48.5	15%	0.147	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-72.7	137.2	172.5	46.4	0	0	0	0	110.4	P46 E50 T114 V115 K116	P46-T112 HydrophobicContact CB-CG2 3.85Å; E50-T112 HydrophobicContact CB-CG2 4.16Å; E50-T112 WeakPolarHBondContact OE2-CB 3.15Å; T112-T114 VanDerWaalsContact C-N 3.26Å; T112-T114 PolarHBondContact O-N 2.99Å; T112-V115 PolarHBondContact O-N 2.88Å; T112-V115 WeakPolarHBondContact OG1-CB 3.42Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.47Å; T112-K116 PolarHBondContact O-N 3.12Å
113	K	72.7	Confident	78.2	Confident	128 Å²	128	47.6 Å²	47.6	56%	0.557	24%	0.243	S	C	*	.	H	α-helix	trans	-51.9	-43.9	-177.1	-171.1	178	-179.3	179.6	0	112.7	V53 V115 K116 D117	V53-K113 HydrophobicContact CG2-CB 3.94Å; V53-K113 HydrophobicContact CG2-CG 4.48Å; K113-V115 PolarHBondContact O-N 3.3Å; K113-K116 PolarHBondContact O-N 3.28Å; K113-D117 PolarHBondContact O-N 3.44Å
114	T	72.7	Confident	77.1	Confident	73 Å²	73	52.4 Å²	52.4	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-36.5	178	-57.8	0	0	0	0	112.7	E50 T112 A118	E50-T114 VanDerWaalsContact CD-OG1 3.27Å; E50-T114 PolarHBondContact OE1-OG1 3.25Å; E50-T114 PolarHBondContact OE2-OG1 3.33Å; E50-T114 VanDerWaalsContact OE2-OG1 3.09Å; T112-T114 VanDerWaalsContact C-N 3.26Å; T112-T114 PolarHBondContact O-N 2.99Å; T114-A118 WeakPolarHBondContact O-CB 3.24Å; T114-A118 PolarHBondContact O-N 3.07Å
115	V	73.1	Confident	75.8	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-78.7	-40.3	179.9	-179.7	0	0	0	0	111	P44 L62 A110 T112 K113 D117 A118 V119	P44-V115 HydrophobicContact CB-CG2 4.17Å; P44-V115 HydrophobicContact CG-CG2 4.02Å; L62-V115 HydrophobicContact CB-CG1 4.18Å; L62-V115 HydrophobicContact CD1-CG1 3.65Å; A110-V115 HydrophobicContact CB-CB 4.38Å; A110-V115 HydrophobicContact CB-CG1 3.66Å; T112-V115 PolarHBondContact O-N 2.88Å; T112-V115 WeakPolarHBondContact OG1-CB 3.42Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.47Å; K113-V115 PolarHBondContact O-N 3.3Å; V115-D117 PolarHBondContact O-N 3.46Å; V115-A118 PolarHBondContact O-N 3.25Å; V115-V119 HydrophobicContact CG1-CG2 4.42Å; V115-V119 VanDerWaalsContact O-CG2 3.28Å; V115-V119 WeakPolarHBondContact O-CG2 3.43Å; V115-V119 PolarHBondContact O-N 2.9Å
116	K	71.3	Confident	74.3	Confident	24 Å²	24	61.4 Å²	61.4	10%	0.104	30%	0.301	C	S	.	.	H	α-helix	trans	-56.9	-50.4	174	-172.2	-179.7	179	174.1	0	110.7	V53 E56 Y61 T112 K113 A118 V119 Q120	V53-K116 HydrophobicContact CG1-CD 4.06Å; E56-K116 IonicContact OE1-NZ 2.88Å; E56-K116 IonicContact OE2-NZ 2.78Å; E56-K116 PolarHBondContact OE2-NZ 3.39Å; Y61-K116 HydrophobicContact CD1-CG 4.42Å; Y61-K116 HydrophobicContact CE1-CD 3.82Å; Y61-K116 HydrophobicContact CE1-CG 4.04Å; Y61-K116 WeakPolarHBondContact OH-CE 3.41Å; Y61-K116 PolarHBondContact OH-NZ 3.12Å; Y61-K116 VanDerWaalsContact OH-NZ 3.15Å; T112-K116 PolarHBondContact O-N 3.12Å; K113-K116 PolarHBondContact O-N 3.28Å; K116-A118 VanDerWaalsContact C-N 3.3Å; K116-A118 PolarHBondContact O-N 2.9Å; K116-V119 PolarHBondContact O-N 2.94Å; K116-Q120 PolarHBondContact O-N 3.44Å
117	D	71.4	Confident	72.8	Confident	80 Å²	80	62.7 Å²	62.7	43%	0.428	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-35.3	-179.1	-66.7	-11.5	0	0	0	112.5	K113 V115 K121	K113-D117 PolarHBondContact O-N 3.44Å; V115-D117 PolarHBondContact O-N 3.46Å; D117-K121 WeakPolarHBondContact O-CG 3.22Å; D117-K121 PolarHBondContact O-N 3.26Å
118	A	69.1	Low	71.3	Confident	37 Å²	37	60.3 Å²	60.3	31%	0.306	30%	0.303	S	S	.	.	H	α-helix	trans	-69.6	-38	176.9	0	0	0	0	0	112.6	P44 T114 V115 K116 N122	P44-A118 HydrophobicContact CG-CB 4.48Å; T114-A118 WeakPolarHBondContact O-CB 3.24Å; T114-A118 PolarHBondContact O-N 3.07Å; V115-A118 PolarHBondContact O-N 3.25Å; K116-A118 VanDerWaalsContact C-N 3.3Å; K116-A118 PolarHBondContact O-N 2.9Å; A118-N122 PolarHBondContact O-N 2.74Å; A118-N122 VanDerWaalsContact O-N 3.12Å
119	V	71.7	Confident	69.7	Low	4 Å²	4	63.2 Å²	63.2	2%	0.024	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-42.9	177.5	174.9	0	0	0	0	110.9	T60 L62 V115 K116 K121 N122 S123	T60-V119 HydrophobicContact CG2-CG1 3.62Å; L62-V119 HydrophobicContact CB-CG2 4.03Å; L62-V119 HydrophobicContact CD1-CG2 3.41Å; L62-V119 VanDerWaalsContact CD1-CG2 3.41Å; L62-V119 HydrophobicContact CG-CG2 3.45Å; L62-V119 VanDerWaalsContact CG-CG2 3.45Å; V115-V119 HydrophobicContact CG1-CG2 4.42Å; V115-V119 VanDerWaalsContact O-CG2 3.28Å; V115-V119 WeakPolarHBondContact O-CG2 3.43Å; V115-V119 PolarHBondContact O-N 2.9Å; K116-V119 PolarHBondContact O-N 2.94Å; V119-K121 PolarHBondContact O-N 3.21Å; V119-N122 PolarHBondContact O-N 3.26Å; V119-S123 WeakPolarHBondContact O-CB 3.08Å; V119-S123 PolarHBondContact O-N 2.88Å
120	Q	69.2	Low	67.8	Low	54 Å²	54	66.8 Å²	66.8	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-56.3	-51	176.8	-151.4	83.6	5	0	0	110.8	E59 K116 N122 S123 E124	E59-Q120 PolarHBondContact OE2-NE2 2.97Å; E59-Q120 PolarHBondContact OE2-OE1 2.75Å; K116-Q120 PolarHBondContact O-N 3.44Å; Q120-N122 VanDerWaalsContact C-N 3.34Å; Q120-N122 PolarHBondContact O-N 3.09Å; Q120-S123 PolarHBondContact O-N 2.95Å; Q120-S123 VanDerWaalsContact O-N 3.16Å; Q120-E124 WeakPolarHBondContact O-CG 3.33Å; Q120-E124 PolarHBondContact O-N 2.93Å
121	K	68.7	Low	65.8	Low	148 Å²	148	70.1 Å²	70.1	64%	0.643	37%	0.365	S	S	*	.	H	α-helix	trans	-60.5	-40.5	178.4	-72.9	178.9	-173.6	179.2	0	112.9	D117 V119 K125	D117-K121 WeakPolarHBondContact O-CG 3.22Å; D117-K121 PolarHBondContact O-N 3.26Å; V119-K121 PolarHBondContact O-N 3.21Å; K121-K125 VanDerWaalsContact O-CB 3.28Å; K121-K125 WeakPolarHBondContact O-CB 3.45Å; K121-K125 PolarHBondContact O-N 2.76Å
122	N	68.4	Low	63.9	Low	87 Å²	87	76.7 Å²	76.7	47%	0.465	40%	0.395	S	S	.	.	H	α-helix	trans	-69.8	-37	176.8	-91.1	-3.2	0	0	0	112.3	A118 V119 Q120 K125 Y126	A118-N122 PolarHBondContact O-N 2.74Å; A118-N122 VanDerWaalsContact O-N 3.12Å; V119-N122 PolarHBondContact O-N 3.26Å; Q120-N122 VanDerWaalsContact C-N 3.34Å; Q120-N122 PolarHBondContact O-N 3.09Å; N122-K125 PolarHBondContact O-N 2.95Å; N122-Y126 WeakPolarHBondContact O-CB 3.03Å; N122-Y126 PolarHBondContact O-N 3.39Å
123	S	63.2	Low	61.7	Low	19 Å²	19	81.9 Å²	81.9	13%	0.133	42%	0.418	C	S	.	.	H	α-helix	trans	-66.1	-47	177.1	-166.4	0	0	0	0	111.1	V119 Q120 K125 Y126 L127	V119-S123 WeakPolarHBondContact O-CB 3.08Å; V119-S123 PolarHBondContact O-N 2.88Å; Q120-S123 PolarHBondContact O-N 2.95Å; Q120-S123 VanDerWaalsContact O-N 3.16Å; S123-K125 VanDerWaalsContact C-N 3.33Å; S123-K125 PolarHBondContact O-N 3.34Å; S123-Y126 PolarHBondContact O-N 3.11Å; S123-L127 WeakPolarHBondContact O-CB 3.33Å; S123-L127 WeakPolarHBondContact O-CG 3.45Å; S123-L127 PolarHBondContact O-N 2.8Å
124	E	66.3	Low	60	Low	119 Å²	119	80.8 Å²	80.8	56%	0.556	42%	0.424	S	S	*	.	H	α-helix	trans	-59.5	-42.7	174.4	-72.1	171.8	178.3	0	0	111.8	Q120 L127 S128	Q120-E124 WeakPolarHBondContact O-CG 3.33Å; Q120-E124 PolarHBondContact O-N 2.93Å; E124-L127 PolarHBondContact O-N 2.95Å; E124-S128 WeakPolarHBondContact O-CB 3.11Å; E124-S128 PolarHBondContact O-N 2.9Å
125	K	64.6	Low	58.3	Low	124 Å²	124	86.4 Å²	86.4	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-44.3	175.3	-173.6	178.4	176.8	-174.9	0	112.1	K121 N122 S123 S128 E129	K121-K125 VanDerWaalsContact O-CB 3.28Å; K121-K125 WeakPolarHBondContact O-CB 3.45Å; K121-K125 PolarHBondContact O-N 2.76Å; N122-K125 PolarHBondContact O-N 2.95Å; S123-K125 VanDerWaalsContact C-N 3.33Å; S123-K125 PolarHBondContact O-N 3.34Å; K125-S128 PolarHBondContact O-N 2.88Å; K125-E129 WeakPolarHBondContact CE-OE1 2.96Å; K125-E129 WeakPolarHBondContact O-CB 3.36Å; K125-E129 WeakPolarHBondContact O-CG 3.45Å; K125-E129 PolarHBondContact O-N 3.03Å
126	Y	58.3	Low	56.6	Low	105 Å²	105	96.2 Å²	96.2	41%	0.412	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-41.3	177.6	-179.4	-107.4	0	0	0	112.4	V94 N122 S123 S128 E129 L130	V94-Y126 HydrophobicContact CG1-CD1 4.43Å; V94-Y126 HydrophobicContact CG1-CE1 4.32Å; N122-Y126 WeakPolarHBondContact O-CB 3.03Å; N122-Y126 PolarHBondContact O-N 3.39Å; S123-Y126 PolarHBondContact O-N 3.11Å; Y126-S128 VanDerWaalsContact C-N 3.35Å; Y126-E129 PolarHBondContact O-N 2.83Å; Y126-L130 HydrophobicContact CD1-CD1 3.71Å; Y126-L130 HydrophobicContact CE1-CD1 3.27Å; Y126-L130 HydrophobicContact CE1-CG 4.21Å; Y126-L130 HydrophobicContact CE2-CD1 4.37Å; Y126-L130 HydrophobicContact CE2-CG 4.49Å; Y126-L130 HydrophobicContact CG-CD1 4.43Å; Y126-L130 WeakPolarHBondContact O-CB 3.49Å; Y126-L130 WeakPolarHBondContact O-CG 3.28Å; Y126-L130 PolarHBondContact O-N 3.02Å
127	L	54.9	Low	55.1	Low	106 Å²	106	105.4 Å²	105.4	56%	0.555	52%	0.522	S	S	*	.	H	α-helix	trans	-64.5	-38.7	174.5	-73.9	165.7	0	0	0	111.8	S123 E124 L130 A131	S123-L127 WeakPolarHBondContact O-CB 3.33Å; S123-L127 WeakPolarHBondContact O-CG 3.45Å; S123-L127 PolarHBondContact O-N 2.8Å; E124-L127 PolarHBondContact O-N 2.95Å; L127-L130 PolarHBondContact O-N 2.82Å; L127-A131 WeakPolarHBondContact O-CB 3.35Å; L127-A131 PolarHBondContact O-N 3.04Å
128	S	56.3	Low	53.7	Low	56 Å²	56	105.2 Å²	105.2	39%	0.392	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-44.2	173.6	-164	0	0	0	0	111.8	E124 K125 Y126 L130 A131 E132	E124-S128 WeakPolarHBondContact O-CB 3.11Å; E124-S128 PolarHBondContact O-N 2.9Å; K125-S128 PolarHBondContact O-N 2.88Å; Y126-S128 VanDerWaalsContact C-N 3.35Å; S128-L130 VanDerWaalsContact C-N 3.31Å; S128-L130 PolarHBondContact O-N 2.81Å; S128-A131 PolarHBondContact O-N 3.39Å; S128-E132 WeakPolarHBondContact O-CB 3.39Å; S128-E132 WeakPolarHBondContact O-CG 3.31Å; S128-E132 PolarHBondContact O-N 2.94Å
129	E	55.5	Low	52.8	Low	100 Å²	100	107.3 Å²	107.3	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-31	177.1	-75.1	175.8	-175.2	0	0	112.8	K125 Y126 Q133	K125-E129 WeakPolarHBondContact CE-OE1 2.96Å; K125-E129 WeakPolarHBondContact O-CB 3.36Å; K125-E129 WeakPolarHBondContact O-CG 3.45Å; K125-E129 PolarHBondContact O-N 3.03Å; Y126-E129 PolarHBondContact O-N 2.83Å; E129-Q133 WeakPolarHBondContact O-CG 3.18Å
130	L	48.6	Very low	51.3	Low	84 Å²	84	118.2 Å²	118.2	44%	0.44	57%	0.57	S	S	.	*	H	α-helix	trans	-71.1	-37.8	171.4	-81.7	167.1	0	0	0	112.3	Y126 L127 S128 E132	Y126-L130 HydrophobicContact CD1-CD1 3.71Å; Y126-L130 HydrophobicContact CE1-CD1 3.27Å; Y126-L130 HydrophobicContact CE1-CG 4.21Å; Y126-L130 HydrophobicContact CE2-CD1 4.37Å; Y126-L130 HydrophobicContact CE2-CG 4.49Å; Y126-L130 HydrophobicContact CG-CD1 4.43Å; Y126-L130 WeakPolarHBondContact O-CB 3.49Å; Y126-L130 WeakPolarHBondContact O-CG 3.28Å; Y126-L130 PolarHBondContact O-N 3.02Å; L127-L130 PolarHBondContact O-N 2.82Å; S128-L130 VanDerWaalsContact C-N 3.31Å; S128-L130 PolarHBondContact O-N 2.81Å; L130-E132 VanDerWaalsContact C-N 3.33Å
131	A	44.8	Very low	49.9	Very low	87 Å²	87	121 Å²	121	72%	0.719	59%	0.586	S	S	*	*	H	α-helix	trans	-72.3	-26.9	177.9	0	0	0	0	0	112.8	L127 S128	L127-A131 WeakPolarHBondContact O-CB 3.35Å; L127-A131 PolarHBondContact O-N 3.04Å; S128-A131 PolarHBondContact O-N 3.39Å
132	E	41	Very low	48.5	Very low	148 Å²	148	119.7 Å²	119.7	69%	0.692	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	4.4	-177.5	-72.9	-175.2	172	0	0	114.9	S128 L130 P134	S128-E132 WeakPolarHBondContact O-CB 3.39Å; S128-E132 WeakPolarHBondContact O-CG 3.31Å; S128-E132 PolarHBondContact O-N 2.94Å; L130-E132 VanDerWaalsContact C-N 3.33Å; E132-P134 WeakPolarHBondContact O-CD 3.48Å
133	Q	33.3	Very low	47.4	Very low	133 Å²	133	121.1 Å²	121.1	62%	0.621	59%	0.585	S	S	*	*			trans	-67.7	116.1	176.9	-68.9	-160	14.2	0	0	111.3	E129 E135	E129-Q133 WeakPolarHBondContact O-CG 3.18Å; Q133-E135 PolarHBondContact O-N 2.67Å
134	P	38.3	Very low	46.6	Very low	106 Å²	106	128.1 Å²	128.1	69%	0.688	61%	0.608	S	S	*	*			trans	-67.1	136.2	169.1	28.2	-31.1	0	0	0	108.4	E132 R136	E132-P134 WeakPolarHBondContact O-CD 3.48Å; P134-R136 PolarHBondContact O-N 3.34Å
135	E	35.7	Very low	45.5	Very low	191 Å²	191	128.5 Å²	128.5	89%	0.893	61%	0.608	S	S	*	*			trans	-51.3	99.1	172	-73.9	-169.4	154.2	0	0	109.5	Q133 K137	Q133-E135 PolarHBondContact O-N 2.67Å; E135-K137 PolarHBondContact O-N 3.19Å
136	R	37.6	Very low	44.4	Very low	209 Å²	209	126.9 Å²	126.9	79%	0.789	60%	0.602	S	S	*	*			trans	-61.5	117.8	173.3	-73.1	-178.8	177.8	178.9	0.1	106.3	P134 I138	P134-R136 PolarHBondContact O-N 3.34Å; R136-I138 WeakPolarHBondContact O-CG1 3.31Å; R136-I138 PolarHBondContact O-N 2.86Å
137	K	40.5	Very low	43.7	Very low	216 Å²	216	125.4 Å²	125.4	94%	0.939	60%	0.601	S	S	*	*			trans	-64.6	87.1	173.7	-75	-177.9	178.7	176.5	0	109.3	E135	E135-K137 PolarHBondContact O-N 3.19Å
138	I	40.8	Very low	43.3	Very low	77 Å²	77	125.7 Å²	125.7	40%	0.395	60%	0.6	S	S	.	*			trans	-77.5	138.3	173.2	-65.2	166.9	0	0	0	108.2	R136 Q142 K143	R136-I138 WeakPolarHBondContact O-CG1 3.31Å; R136-I138 PolarHBondContact O-N 2.86Å; I138-Q142 HydrophobicContact CG2-CB 3.49Å; I138-Q142 VanDerWaalsContact CG2-CB 3.49Å; I138-K143 HydrophobicContact CB-CB 4.36Å; I138-K143 HydrophobicContact CG2-CB 3.8Å
139	T	50.4	Low	42.7	Very low	81 Å²	81	129 Å²	129	50%	0.497	61%	0.612	S	S	.	*			trans	-62.8	143.5	174.2	61.7	0	0	0	0	110.5	N141 Q142 K143	T139-N141 PolarHBondContact O-N 2.78Å; T139-Q142 PolarHBondContact O-N 3.03Å; T139-Q142 WeakPolarHBondContact OG1-CB 3.25Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.42Å; T139-Q142 PolarHBondContact OG1-OE1 3.34Å; T139-Q142 VanDerWaalsContact OG1-OE1 3.12Å; T139-K143 PolarHBondContact O-N 3.25Å
140	R	41.8	Very low	41.6	Very low	232 Å²	232	128.6 Å²	128.6	88%	0.875	61%	0.613	S	S	*	*	H	α-helix	trans	-49.8	-31.6	-176.1	-166.7	177.3	-178.3	176	1.4	113.9	R144	R140-R144 WeakPolarHBondContact O-CB 3.45Å; R140-R144 PolarHBondContact O-N 2.83Å
141	N	38.6	Very low	41.3	Very low	113 Å²	113	128.3 Å²	128.3	60%	0.604	61%	0.609	S	S	*	*	H	α-helix	trans	-80.4	-35.3	179	-155.9	16.8	0	0	0	113.4	T139 K145	T139-N141 PolarHBondContact O-N 2.78Å; N141-K145 PolarHBondContact O-N 3.34Å; N141-K145 VanDerWaalsContact O-N 3.11Å
142	Q	40.1	Very low	40.9	Very low	120 Å²	120	128.9 Å²	128.9	56%	0.561	60%	0.603	S	S	*	*	H	α-helix	trans	-73.7	-34.8	173.4	-78	171.8	-18.9	0	0	111.7	I138 T139 K145 H146	I138-Q142 HydrophobicContact CG2-CB 3.49Å; I138-Q142 VanDerWaalsContact CG2-CB 3.49Å; T139-Q142 PolarHBondContact O-N 3.03Å; T139-Q142 WeakPolarHBondContact OG1-CB 3.25Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.42Å; T139-Q142 PolarHBondContact OG1-OE1 3.34Å; T139-Q142 VanDerWaalsContact OG1-OE1 3.12Å; Q142-K145 PolarHBondContact O-N 3.37Å; Q142-H146 WeakPolarHBondContact O-CB 3.46Å; Q142-H146 PolarHBondContact O-N 2.89Å
143	K	45.7	Very low	40.7	Very low	118 Å²	118	127.8 Å²	127.8	51%	0.513	60%	0.598	S	S	.	*	H	α-helix	trans	-63	-46.7	174.2	-175.2	163.8	-177.2	166.5	0	109.9	I138 T139 K145 H146 D147	I138-K143 HydrophobicContact CB-CB 4.36Å; I138-K143 HydrophobicContact CG2-CB 3.8Å; T139-K143 PolarHBondContact O-N 3.25Å; K143-K145 PolarHBondContact O-N 3.18Å; K143-H146 PolarHBondContact O-N 3.42Å; K143-D147 WeakPolarHBondContact CG-OD2 3.19Å; K143-D147 WeakPolarHBondContact O-CB 3.22Å; K143-D147 PolarHBondContact O-N 3.38Å
144	R	46.1	Very low	40.9	Very low	166 Å²	166	128.1 Å²	128.1	63%	0.626	60%	0.598	S	S	*	*	H	α-helix	trans	-58.3	-46.1	174.6	-161.2	177.9	-175.9	166.6	6.5	113.2	R140 E148	R140-R144 WeakPolarHBondContact O-CB 3.45Å; R140-R144 PolarHBondContact O-N 2.83Å; R144-E148 WeakPolarHBondContact CG-OE1 3.41Å; R144-E148 IonicContact NE-OE1 3.59Å; R144-E148 VanDerWaalsContact O-CB 3.23Å; R144-E148 WeakPolarHBondContact O-CB 3.5Å; R144-E148 WeakPolarHBondContact O-CG 2.99Å; R144-E148 PolarHBondContact O-N 3.4Å
145	K	42	Very low	41.1	Very low	126 Å²	126	127 Å²	127	55%	0.548	59%	0.589	S	S	.	*	H	α-helix	trans	-66.3	-37.6	175.1	-80.2	-174.1	175.3	-175.8	0	113.1	N141 Q142 K143 I149	N141-K145 PolarHBondContact O-N 3.34Å; N141-K145 VanDerWaalsContact O-N 3.11Å; Q142-K145 PolarHBondContact O-N 3.37Å; K143-K145 PolarHBondContact O-N 3.18Å; K145-I149 VanDerWaalsContact O-CB 3.26Å; K145-I149 WeakPolarHBondContact O-CB 3.42Å; K145-I149 VanDerWaalsContact O-CD1 3.27Å; K145-I149 WeakPolarHBondContact O-CD1 3.4Å; K145-I149 WeakPolarHBondContact O-CG1 3.44Å; K145-I149 PolarHBondContact O-N 3.46Å
146	H	42.8	Very low	41.4	Very low	91 Å²	91	122.3 Å²	122.3	42%	0.421	56%	0.564	S	S	.	*	H	α-helix	trans	-68.6	-44.1	178.6	-172.6	91.8	0	0	0	111.2	Q142 K143 E148 I149 N150	Q142-H146 WeakPolarHBondContact O-CB 3.46Å; Q142-H146 PolarHBondContact O-N 2.89Å; K143-H146 PolarHBondContact O-N 3.42Å; H146-E148 VanDerWaalsContact C-N 3.35Å; H146-I149 PolarHBondContact O-N 2.67Å; H146-N150 PolarHBondContact CE1-ND2 3.38Å; H146-N150 PolarHBondContact ND1-ND2 2.87Å; H146-N150 PolarHBondContact NE2-ND2 2.78Å; H146-N150 VanDerWaalsContact NE2-ND2 3.14Å; H146-N150 WeakPolarHBondContact O-CB 3.48Å; H146-N150 PolarHBondContact O-N 2.92Å
147	D	41.8	Very low	41.7	Very low	73 Å²	73	116.9 Å²	116.9	39%	0.39	56%	0.563	S	S	.	*	H	α-helix	trans	-66.1	-36.8	176.4	-60.7	-17.5	0	0	0	111.1	K143 H151	K143-D147 WeakPolarHBondContact CG-OD2 3.19Å; K143-D147 WeakPolarHBondContact O-CB 3.22Å; K143-D147 PolarHBondContact O-N 3.38Å; D147-H151 PolarHBondContact O-N 2.71Å
148	E	47.9	Very low	42.1	Very low	112 Å²	112	112.5 Å²	112.5	52%	0.523	55%	0.547	S	S	.	.	H	α-helix	trans	-70.7	-29.2	174.4	-76.8	169.9	-175	0	0	113.8	R144 H146 H151	R144-E148 WeakPolarHBondContact CG-OE1 3.41Å; R144-E148 IonicContact NE-OE1 3.59Å; R144-E148 VanDerWaalsContact O-CB 3.23Å; R144-E148 WeakPolarHBondContact O-CB 3.5Å; R144-E148 WeakPolarHBondContact O-CG 2.99Å; R144-E148 PolarHBondContact O-N 3.4Å; H146-E148 VanDerWaalsContact C-N 3.35Å; E148-H151 PolarHBondContact O-CE1 2.94Å; E148-H151 PolarHBondContact O-ND1 2.88Å; E148-H151 VanDerWaalsContact O-ND1 3.12Å
149	I	42.3	Very low	42.5	Very low	126 Å²	126	111.5 Å²	111.5	65%	0.646	54%	0.541	S	S	*	.	H	α-helix	trans	-91.3	-42.5	-177.6	-69.2	166.5	0	0	0	111.7	K145 H146	K145-I149 VanDerWaalsContact O-CB 3.26Å; K145-I149 WeakPolarHBondContact O-CB 3.42Å; K145-I149 VanDerWaalsContact O-CD1 3.27Å; K145-I149 WeakPolarHBondContact O-CD1 3.4Å; K145-I149 WeakPolarHBondContact O-CG1 3.44Å; K145-I149 PolarHBondContact O-N 3.46Å; H146-I149 PolarHBondContact O-N 2.67Å
150	N	33.3	Very low	43.1	Very low	91 Å²	91	111.3 Å²	111.3	49%	0.487	54%	0.537	S	S	.	.	H	α-helix	trans	-94.9	-8.2	-173.7	-72	-24.8	0	0	0	114.4	H146 V152	H146-N150 PolarHBondContact CE1-ND2 3.38Å; H146-N150 PolarHBondContact ND1-ND2 2.87Å; H146-N150 PolarHBondContact NE2-ND2 2.78Å; H146-N150 VanDerWaalsContact NE2-ND2 3.14Å; H146-N150 WeakPolarHBondContact O-CB 3.48Å; H146-N150 PolarHBondContact O-N 2.92Å; N150-V152 VanDerWaalsContact C-N 3.26Å; N150-V152 PolarHBondContact O-N 2.72Å; N150-V152 VanDerWaalsContact O-N 3.13Å
151	H	42.5	Very low	43.9	Very low	79 Å²	79	105.6 Å²	105.6	37%	0.366	53%	0.53	S	S	.	.			trans	42.2	57.4	172.7	-83.4	82.6	0	0	0	111.9	D147 E148 Q153 K358	D147-H151 PolarHBondContact O-N 2.71Å; E148-H151 PolarHBondContact O-CE1 2.94Å; E148-H151 PolarHBondContact O-ND1 2.88Å; E148-H151 VanDerWaalsContact O-ND1 3.12Å; H151-Q153 PolarHBondContact O-N 2.9Å; H151-K358 PolarHBondContact CD2-NZ 3.46Å; H151-K358 WeakPolarHBondContact NE2-CD 3.36Å; H151-K358 WeakPolarHBondContact NE2-CE 3.24Å; H151-K358 PolarHBondContact NE2-NZ 3.45Å
152	V	36.6	Very low	44.9	Very low	98 Å²	98	105 Å²	105	59%	0.594	53%	0.531	S	S	*	.			trans	-51	116.7	159.2	-178.1	0	0	0	0	104.2	N150 K154	N150-V152 VanDerWaalsContact C-N 3.26Å; N150-V152 PolarHBondContact O-N 2.72Å; N150-V152 VanDerWaalsContact O-N 3.13Å; V152-K154 PolarHBondContact O-N 2.76Å
153	Q	37	Very low	45.7	Very low	126 Å²	126	101.8 Å²	101.8	59%	0.589	52%	0.519	S	S	*	.			trans	-41.9	135.6	170.4	-79.6	171.7	-42.2	0	0	106.4	H151 T155	H151-Q153 PolarHBondContact O-N 2.9Å; Q153-T155 PolarHBondContact O-N 2.82Å
154	K	38	Very low	46.3	Very low	139 Å²	139	96.9 Å²	96.9	60%	0.604	50%	0.5	S	S	*	.			trans	-44	114.7	168.3	-80.1	-168.5	169.3	-175	0	106	V152 Y156 E158	V152-K154 PolarHBondContact O-N 2.76Å; K154-Y156 PolarHBondContact O-N 3.22Å; K154-E158 HydrophobicContact CB-CB 4.35Å; K154-E158 HydrophobicContact CD-CB 4.35Å; K154-E158 WeakPolarHBondContact CD-OE2 3.42Å; K154-E158 WeakPolarHBondContact CE-OE2 3.48Å; K154-E158 WeakPolarHBondContact CG-OE2 3.44Å
155	T	41.1	Very low	46.9	Very low	84 Å²	84	91.8 Å²	91.8	52%	0.515	49%	0.494	S	S	.	.			trans	-55.9	143.1	-178.9	23.6	0	0	0	0	105.9	Q153 A157 E158	Q153-T155 PolarHBondContact O-N 2.82Å; T155-A157 CarbonylContact O-C 3.55Å; T155-A157 PolarHBondContact O-N 3.08Å; T155-E158 PolarHBondContact O-N 3.2Å
156	Y	42.4	Very low	47.6	Very low	92 Å²	92	91.1 Å²	91.1	36%	0.361	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-42.2	-22.4	176.1	-77.2	-89.1	0	0	0	113.9	K154 E158 A164 K168 E171	K154-Y156 PolarHBondContact O-N 3.22Å; Y156-E158 PolarHBondContact O-N 3.11Å; Y156-A164 HydrophobicContact CD1-CB 4.2Å; Y156-K168 HydrophobicContact CE1-CB 4.16Å; Y156-E171 PolarHBondContact OH-OE1 2.88Å; Y156-E171 PolarHBondContact OH-OE2 2.85Å
157	A	43.4	Very low	48.4	Very low	94 Å²	94	90.1 Å²	90.1	78%	0.777	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-63.5	-20.8	172.4	0	0	0	0	0	116.8	T155	T155-A157 CarbonylContact O-C 3.55Å; T155-A157 PolarHBondContact O-N 3.08Å
158	E	48.7	Very low	49.3	Very low	125 Å²	125	93.5 Å²	93.5	58%	0.584	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-96.9	-4.1	179.5	-66.3	-168.5	175.5	0	0	113.8	K154 T155 Y156	K154-E158 HydrophobicContact CB-CB 4.35Å; K154-E158 HydrophobicContact CD-CB 4.35Å; K154-E158 WeakPolarHBondContact CD-OE2 3.42Å; K154-E158 WeakPolarHBondContact CE-OE2 3.48Å; K154-E158 WeakPolarHBondContact CG-OE2 3.44Å; T155-E158 PolarHBondContact O-N 3.2Å; Y156-E158 PolarHBondContact O-N 3.11Å
159	M	50	Low	49.9	Very low	56 Å²	56	93.8 Å²	93.8	28%	0.276	50%	0.504	S	S	.	.	S	Bend	trans	-96.8	152	177.8	-75.2	165.3	155.8	0	0	110.5	A164 E167	M159-A164 HydrophobicContact CB-CB 4.18Å; M159-E167 VanDerWaalsContact CE-CD 3.43Å; M159-E167 WeakPolarHBondContact CE-OE1 3.5Å; M159-E167 WeakPolarHBondContact CE-OE2 3.45Å
160	D	63.3	Low	50.8	Low	76 Å²	76	91 Å²	91	41%	0.406	49%	0.488	S	S	.	.			trans	-63.9	148.8	170.9	70.7	88.1	0	0	0	109.6	T162 T163 A164	D160-T162 PolarHBondContact O-N 3.37Å; D160-T162 VanDerWaalsContact O-N 3.09Å; D160-T162 WeakPolarHBondContact OD1-CB 3.4Å; D160-T162 PolarHBondContact OD1-N 3.29Å; D160-T162 VanDerWaalsContact OD1-N 3.16Å; D160-T162 PolarHBondContact OD1-OG1 2.99Å; D160-T163 VanDerWaalsContact CG-OG1 3.24Å; D160-T163 PolarHBondContact O-N 2.95Å; D160-T163 VanDerWaalsContact O-N 3.15Å; D160-T163 PolarHBondContact OD1-N 2.48Å; D160-T163 PolarHBondContact OD1-OG1 2.87Å; D160-T163 WeakPolarHBondContact OD2-CB 3.48Å; D160-T163 PolarHBondContact OD2-OG1 3.19Å; D160-A164 WeakPolarHBondContact O-CB 3.39Å; D160-A164 PolarHBondContact O-N 2.97Å
161	P	57.6	Low	52.2	Low	113 Å²	113	89 Å²	89	73%	0.734	48%	0.475	S	S	*	.	H	α-helix	trans	-57.3	-30.2	-173.4	-26.8	34.8	0	0	0	114.3	A165	P161-A165 VanDerWaalsContact O-CB 3.29Å; P161-A165 WeakPolarHBondContact O-CB 3.02Å; P161-A165 PolarHBondContact O-N 3.09Å
162	T	61.3	Low	53.1	Low	101 Å²	101	88.6 Å²	88.6	62%	0.62	49%	0.486	S	S	*	.	H	α-helix	trans	-73.3	-45.6	178.4	25.9	0	0	0	0	112	D160 A165 L166	D160-T162 PolarHBondContact O-N 3.37Å; D160-T162 VanDerWaalsContact O-N 3.09Å; D160-T162 WeakPolarHBondContact OD1-CB 3.4Å; D160-T162 PolarHBondContact OD1-N 3.29Å; D160-T162 VanDerWaalsContact OD1-N 3.16Å; D160-T162 PolarHBondContact OD1-OG1 2.99Å; T162-A165 PolarHBondContact O-N 2.89Å; T162-L166 WeakPolarHBondContact O-CB 3.36Å; T162-L166 WeakPolarHBondContact O-CG 3.43Å; T162-L166 PolarHBondContact O-N 2.94Å
163	T	55.8	Low	54.4	Low	51 Å²	51	89.1 Å²	89.1	31%	0.313	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-43.4	173.8	-59.4	0	0	0	0	111	D160 A165 L166 E167	D160-T163 VanDerWaalsContact CG-OG1 3.24Å; D160-T163 PolarHBondContact O-N 2.95Å; D160-T163 VanDerWaalsContact O-N 3.15Å; D160-T163 PolarHBondContact OD1-N 2.48Å; D160-T163 PolarHBondContact OD1-OG1 2.87Å; D160-T163 WeakPolarHBondContact OD2-CB 3.48Å; D160-T163 PolarHBondContact OD2-OG1 3.19Å; T163-A165 VanDerWaalsContact C-N 3.33Å; T163-A165 PolarHBondContact O-N 2.92Å; T163-L166 PolarHBondContact O-N 3.1Å; T163-E167 HydrophobicContact CG2-CG 4.34Å; T163-E167 WeakPolarHBondContact O-CB 3.34Å; T163-E167 WeakPolarHBondContact O-CG 3.45Å; T163-E167 PolarHBondContact O-N 3.42Å
164	A	57.5	Low	55.7	Low	15 Å²	15	84.1 Å²	84.1	12%	0.124	46%	0.462	C	S	.	.	H	α-helix	trans	-61.5	-39	177.1	0	0	0	0	0	112.6	Y156 M159 D160 K168	Y156-A164 HydrophobicContact CD1-CB 4.2Å; M159-A164 HydrophobicContact CB-CB 4.18Å; D160-A164 WeakPolarHBondContact O-CB 3.39Å; D160-A164 PolarHBondContact O-N 2.97Å; A164-K168 VanDerWaalsContact O-CB 3.28Å; A164-K168 WeakPolarHBondContact O-CB 3.33Å; A164-K168 PolarHBondContact O-N 3.14Å
165	A	58.6	Low	57.1	Low	59 Å²	59	81 Å²	81	49%	0.488	45%	0.449	S	S	.	.	H	α-helix	trans	-68.9	-44.2	176.3	0	0	0	0	0	112.2	P161 T162 T163 K168 E169	P161-A165 VanDerWaalsContact O-CB 3.29Å; P161-A165 WeakPolarHBondContact O-CB 3.02Å; P161-A165 PolarHBondContact O-N 3.09Å; T162-A165 PolarHBondContact O-N 2.89Å; T163-A165 VanDerWaalsContact C-N 3.33Å; T163-A165 PolarHBondContact O-N 2.92Å; A165-K168 PolarHBondContact O-N 2.76Å; A165-E169 WeakPolarHBondContact O-CB 3.23Å; A165-E169 PolarHBondContact O-N 2.84Å
166	L	56.8	Low	58.3	Low	112 Å²	112	77.7 Å²	77.7	59%	0.586	43%	0.428	S	S	*	.	H	α-helix	trans	-63.2	-40.7	175.9	-73.5	170.3	0	0	0	111.7	T162 T163 E169 H170	T162-L166 WeakPolarHBondContact O-CB 3.36Å; T162-L166 WeakPolarHBondContact O-CG 3.43Å; T162-L166 PolarHBondContact O-N 2.94Å; T163-L166 PolarHBondContact O-N 3.1Å; L166-E169 PolarHBondContact O-N 3.39Å; L166-H170 VanDerWaalsContact O-CB 3.23Å; L166-H170 WeakPolarHBondContact O-CB 3.29Å; L166-H170 PolarHBondContact O-N 2.88Å
167	E	59.8	Low	59.9	Low	71 Å²	71	73.8 Å²	73.8	33%	0.332	41%	0.413	S	S	.	.	H	α-helix	trans	-66.4	-39.9	175	-75.8	-172.6	-179.4	0	0	112	M159 T163 H170 E171	M159-E167 VanDerWaalsContact CE-CD 3.43Å; M159-E167 WeakPolarHBondContact CE-OE1 3.5Å; M159-E167 WeakPolarHBondContact CE-OE2 3.45Å; T163-E167 HydrophobicContact CG2-CG 4.34Å; T163-E167 WeakPolarHBondContact O-CB 3.34Å; T163-E167 WeakPolarHBondContact O-CG 3.45Å; T163-E167 PolarHBondContact O-N 3.42Å; E167-H170 PolarHBondContact O-N 2.84Å; E167-E171 WeakPolarHBondContact O-CB 3.05Å; E167-E171 WeakPolarHBondContact O-CG 3.44Å; E167-E171 PolarHBondContact O-N 3.44Å
168	K	62.5	Low	61.4	Low	144 Å²	144	72.7 Å²	72.7	63%	0.626	39%	0.39	S	S	*	.	H	α-helix	trans	-66.7	-39.4	176.6	-170.2	177	-178.2	179.7	0	112.3	Y156 A164 A165 A172	Y156-K168 HydrophobicContact CE1-CB 4.16Å; A164-K168 VanDerWaalsContact O-CB 3.28Å; A164-K168 WeakPolarHBondContact O-CB 3.33Å; A164-K168 PolarHBondContact O-N 3.14Å; A165-K168 PolarHBondContact O-N 2.76Å; K168-A172 WeakPolarHBondContact O-CB 3.46Å; K168-A172 PolarHBondContact O-N 3.29Å
169	E	60.3	Low	63	Low	117 Å²	117	67 Å²	67	55%	0.547	36%	0.363	S	S	.	.	H	α-helix	trans	-66.7	-44.1	173.4	-173.4	178.9	-167.5	0	0	111	A165 L166 A172 I173	A165-E169 WeakPolarHBondContact O-CB 3.23Å; A165-E169 PolarHBondContact O-N 2.84Å; L166-E169 PolarHBondContact O-N 3.39Å; E169-A172 PolarHBondContact O-N 2.85Å; E169-I173 HydrophobicContact CG-CD1 4.03Å; E169-I173 WeakPolarHBondContact O-CG1 3.49Å; E169-I173 PolarHBondContact O-N 2.78Å
170	H	60.8	Low	64.6	Low	68 Å²	68	65.4 Å²	65.4	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-49.6	174.9	-163.1	83.1	0	0	0	110.8	L166 E167 A172 I173 T174	L166-H170 VanDerWaalsContact O-CB 3.23Å; L166-H170 WeakPolarHBondContact O-CB 3.29Å; L166-H170 PolarHBondContact O-N 2.88Å; E167-H170 PolarHBondContact O-N 2.84Å; H170-A172 VanDerWaalsContact C-N 3.29Å; H170-A172 PolarHBondContact O-N 2.7Å; H170-I173 PolarHBondContact O-N 2.82Å; H170-I173 VanDerWaalsContact O-N 3.16Å; H170-T174 WeakPolarHBondContact O-CB 3.35Å; H170-T174 WeakPolarHBondContact O-CG2 3.17Å; H170-T174 PolarHBondContact O-N 3.22Å; H170-T174 PolarHBondContact O-OG1 2.75Å
171	E	62.9	Low	66	Low	49 Å²	49	65.1 Å²	65.1	23%	0.229	35%	0.351	C	S	.	.	H	α-helix	trans	-57.3	-40.3	176.4	-85.7	-163.5	-153.9	0	0	112.6	R98 Y156 E167 T174 K175	R98-E171 IonicContact CZ-OE2 3.6Å; R98-E171 IonicContact NH1-OE2 3.7Å; R98-E171 PolarHBondContact NH1-OE2 3.24Å; R98-E171 IonicContact NH2-OE2 3.75Å; Y156-E171 PolarHBondContact OH-OE1 2.88Å; Y156-E171 PolarHBondContact OH-OE2 2.85Å; E167-E171 WeakPolarHBondContact O-CB 3.05Å; E167-E171 WeakPolarHBondContact O-CG 3.44Å; E167-E171 PolarHBondContact O-N 3.44Å; E171-T174 PolarHBondContact O-N 3.32Å; E171-K175 WeakPolarHBondContact O-CA 3.37Å; E171-K175 WeakPolarHBondContact O-CB 3.4Å; E171-K175 PolarHBondContact O-N 3.41Å
172	A	61.4	Low	67.9	Low	71 Å²	71	59.7 Å²	59.7	59%	0.587	32%	0.316	S	S	*	.	H	α-helix	trans	-65.6	-41.2	178	0	0	0	0	0	111.9	K168 E169 H170	K168-A172 WeakPolarHBondContact O-CB 3.46Å; K168-A172 PolarHBondContact O-N 3.29Å; E169-A172 PolarHBondContact O-N 2.85Å; H170-A172 VanDerWaalsContact C-N 3.29Å; H170-A172 PolarHBondContact O-N 2.7Å
173	I	62.4	Low	69.6	Low	108 Å²	108	56.5 Å²	56.5	55%	0.554	29%	0.294	S	S	*	.	H	α-helix	trans	-71.5	-37.5	178.2	-64.9	166.4	0	0	0	111.2	E169 H170	E169-I173 HydrophobicContact CG-CD1 4.03Å; E169-I173 WeakPolarHBondContact O-CG1 3.49Å; E169-I173 PolarHBondContact O-N 2.78Å; H170-I173 PolarHBondContact O-N 2.82Å; H170-I173 VanDerWaalsContact O-N 3.16Å
174	T	64.4	Low	71.6	Confident	22 Å²	22	54.4 Å²	54.4	14%	0.135	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	4.8	-176.7	65.3	0	0	0	0	114	H170 E171 V176 F194	H170-T174 WeakPolarHBondContact O-CB 3.35Å; H170-T174 WeakPolarHBondContact O-CG2 3.17Å; H170-T174 PolarHBondContact O-N 3.22Å; H170-T174 PolarHBondContact O-OG1 2.75Å; E171-T174 PolarHBondContact O-N 3.32Å; T174-V176 PolarHBondContact O-N 3.13Å; T174-F194 HydrophobicContact CG2-CB 4.44Å; T174-F194 HydrophobicContact CG2-CD1 3.43Å; T174-F194 VanDerWaalsContact CG2-CD1 3.43Å; T174-F194 HydrophobicContact CG2-CE1 3.95Å; T174-F194 HydrophobicContact CG2-CG 4.17Å
175	K	68.9	Low	73.4	Confident	74 Å²	74	54 Å²	54	32%	0.322	28%	0.277	S	S	.	.	S	Bend	trans	-60.3	-31.9	-174.7	-163.6	178.7	178.5	-170.3	0	112.5	I76 Y90 E171	I76-K175 HydrophobicContact CG2-CD 4.2Å; Y90-K175 VanDerWaalsContact CE1-O 3.24Å; Y90-K175 WeakPolarHBondContact CE1-O 3.46Å; Y90-K175 PolarHBondContact OH-O 2.94Å; E171-K175 WeakPolarHBondContact O-CA 3.37Å; E171-K175 WeakPolarHBondContact O-CB 3.4Å; E171-K175 PolarHBondContact O-N 3.41Å
176	V	66.2	Low	75.2	Confident	13 Å²	13	58.7 Å²	58.7	8%	0.079	29%	0.294	C	S	.	.	S	Bend	trans	-113	119.1	-178.2	-178.4	0	0	0	0	110.5	I76 Q77 Y90 W103 T174 Y178	I76-V176 HydrophobicContact CG2-CG2 3.81Å; Q77-V176 HydrophobicContact CB-CG2 4.18Å; Y90-V176 HydrophobicContact CD1-CB 4.23Å; Y90-V176 HydrophobicContact CD1-CG1 3.95Å; Y90-V176 HydrophobicContact CD1-CG2 3.86Å; Y90-V176 HydrophobicContact CD2-CG1 4.02Å; Y90-V176 HydrophobicContact CE1-CB 4.32Å; Y90-V176 HydrophobicContact CE1-CG1 4.33Å; Y90-V176 HydrophobicContact CE1-CG2 4.18Å; Y90-V176 HydrophobicContact CE2-CG1 4.37Å; Y90-V176 HydrophobicContact CG-CG1 3.77Å; Y90-V176 HydrophobicContact CG-CG2 4.46Å; W103-V176 HydrophobicContact CH2-CG1 4.22Å; W103-V176 HydrophobicContact CZ2-CG1 3.46Å; W103-V176 VanDerWaalsContact CZ2-CG1 3.46Å; T174-V176 PolarHBondContact O-N 3.13Å; V176-Y178 HydrophobicContact CG1-CD1 4.46Å; V176-Y178 HydrophobicContact CG1-CE1 4.2Å; V176-Y178 PolarHBondContact O-N 3.05Å
177	K	76.3	Confident	77.1	Confident	11 Å²	11	57.5 Å²	57.5	5%	0.048	28%	0.283	C	S	.	.			trans	-79.4	109.5	172.3	-177.9	-169	72.2	161.8	0	109	Y90 W103 V179 D180 A191	Y90-K177 HydrophobicContact CE2-CB 3.95Å; Y90-K177 PolarHBondContact OH-N 2.84Å; W103-K177 PolarHBondContact NE1-O 3.13Å; K177-V179 WeakPolarHBondContact CD-O 3.39Å; K177-V179 WeakPolarHBondContact CE-O 3.47Å; K177-V179 WeakPolarHBondContact CG-O 3.16Å; K177-D180 WeakPolarHBondContact CE-OD1 3.4Å; K177-D180 PolarHBondContact NZ-O 3.3Å; K177-D180 IonicContact NZ-OD1 3.64Å; K177-D180 PolarHBondContact NZ-OD1 2.97Å; K177-A191 HydrophobicContact CD-CB 3.72Å; K177-A191 WeakPolarHBondContact CD-O 3.34Å; K177-A191 PolarHBondContact NZ-O 2.85Å
178	Y	73.1	Confident	78.8	Confident	71 Å²	71	59.1 Å²	59.1	28%	0.278	29%	0.29	S	S	.	.			trans	-78.7	-41.9	175.8	-68.6	-69.1	0	0	0	113.4	Q77 R79 W103 V176 D180 F194 G202	Q77-Y178 PolarHBondContact NE2-OH 2.93Å; Q77-Y178 PolarHBondContact OE1-OH 3.32Å; Q77-Y178 VanDerWaalsContact OE1-OH 3.11Å; R79-Y178 PolarHBondContact NH1-O 3.23Å; W103-Y178 HydrophobicContact CZ2-CD1 4.09Å; W103-Y178 HydrophobicContact CZ2-CE1 4.21Å; V176-Y178 HydrophobicContact CG1-CD1 4.46Å; V176-Y178 HydrophobicContact CG1-CE1 4.2Å; V176-Y178 PolarHBondContact O-N 3.05Å; Y178-D180 PolarHBondContact O-N 3.44Å; Y178-F194 HydrophobicContact CD2-CE2 4.35Å; Y178-G202 CarbonylContact C-O 3.58Å; Y178-G202 WeakPolarHBondContact CB-O 3.42Å
179	V	83.4	Confident	80.4	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.024	26%	0.263	C	S	.	.			trans	-81.2	109.4	175.7	180	0	0	0	0	109.8	K177 I182 A191 F197 G202 Q204 L207 L269	K177-V179 WeakPolarHBondContact CD-O 3.39Å; K177-V179 WeakPolarHBondContact CE-O 3.47Å; K177-V179 WeakPolarHBondContact CG-O 3.16Å; V179-I182 HydrophobicContact CG1-CG2 4.19Å; V179-A191 WeakPolarHBondContact O-CB 3.37Å; V179-F197 HydrophobicContact CG2-CD2 4.08Å; V179-G202 WeakPolarHBondContact CG2-O 3.48Å; V179-G202 PolarHBondContact N-O 3.43Å; V179-Q204 WeakPolarHBondContact CA-O 3.49Å; V179-L207 HydrophobicContact CB-CD1 4.45Å; V179-L207 HydrophobicContact CG1-CB 4.32Å; V179-L207 HydrophobicContact CG1-CD1 3.9Å; V179-L207 HydrophobicContact CG1-CG 3.89Å; V179-L207 HydrophobicContact CG2-CD1 3.68Å; V179-L207 HydrophobicContact CG2-CG 4.08Å; V179-L269 HydrophobicContact CB-CD2 4.37Å; V179-L269 HydrophobicContact CG1-CD2 4.45Å
180	D	84.1	Confident	82	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.123	26%	0.261	C	S	.	.			trans	-80.7	-43	-177.7	-74.8	-60	0	0	0	114.6	R79 W103 K177 Y178 A191 P205	R79-D180 IonicContact CZ-OD2 2.72Å; R79-D180 IonicContact NH1-OD2 2.8Å; R79-D180 IonicContact NH2-OD2 3.83Å; R79-D180 PolarHBondContact NH2-OD2 2.85Å; W103-D180 VanDerWaalsContact CD1-CG 3.43Å; K177-D180 WeakPolarHBondContact CE-OD1 3.4Å; K177-D180 PolarHBondContact NZ-O 3.3Å; K177-D180 IonicContact NZ-OD1 3.64Å; K177-D180 PolarHBondContact NZ-OD1 2.97Å; Y178-D180 PolarHBondContact O-N 3.44Å; D180-A191 PolarHBondContact O-N 3.17Å; D180-P205 WeakPolarHBondContact CA-O 3.33Å; D180-P205 WeakPolarHBondContact CB-O 3.3Å; D180-P205 PolarHBondContact N-O 3.05Å
181	K	92.4	Very high	83.5	Confident	70 Å²	70	48.6 Å²	48.6	30%	0.304	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.2	-167.6	-174.5	173	-76.5	-179.9	0	109.8	E188 I189 D190 P205 K206 L207	K181-E188 HydrophobicContact CD-CB 4.14Å; K181-E188 HydrophobicContact CG-CB 4.41Å; K181-E188 IonicContact NZ-OE2 3.24Å; K181-I189 WeakPolarHBondContact CA-O 3.46Å; K181-D190 WeakPolarHBondContact CE-OD1 3.5Å; K181-D190 IonicContact NZ-OD1 2.75Å; K181-P205 PolarHBondContact N-O 2.75Å; K181-K206 VanDerWaalsContact O-CA 3.26Å; K181-K206 WeakPolarHBondContact O-CA 3.49Å; K181-L207 PolarHBondContact O-N 3.42Å
182	I	96.9	Very high	84.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148	169.2	63.4	170	0	0	0	110.4	V179 I184 E188 I189 L207 L209 L266 L269 F270	V179-I182 HydrophobicContact CG1-CG2 4.19Å; I182-I184 HydrophobicContact CD1-CG2 4.3Å; I182-E188 CarbonylContact O-C 3.57Å; I182-E188 VanDerWaalsContact O-CA 3.31Å; I182-E188 WeakPolarHBondContact O-CA 3.42Å; I182-I189 HydrophobicContact CD1-CB 4.41Å; I182-I189 HydrophobicContact CD1-CD1 4.41Å; I182-I189 HydrophobicContact CG1-CB 3.86Å; I182-I189 PolarHBondContact N-O 2.85Å; I182-I189 PolarHBondContact O-N 3.15Å; I182-L207 CarbonylContact C-O 3.47Å; I182-L207 VanDerWaalsContact CA-O 3.29Å; I182-L207 WeakPolarHBondContact CA-O 3.42Å; I182-L207 HydrophobicContact CG2-CB 4.31Å; I182-L209 HydrophobicContact CB-CD1 3.98Å; I182-L209 HydrophobicContact CG2-CD1 3.96Å; I182-L266 HydrophobicContact CD1-CD1 3.34Å; I182-L269 HydrophobicContact CD1-CD1 4.26Å; I182-L269 HydrophobicContact CG2-CD1 3.56Å; I182-F270 HydrophobicContact CD1-CE2 4.18Å; I182-F270 HydrophobicContact CD1-CZ 3.93Å
183	H	97.8	Very high	86	Confident	33 Å²	33	48.3 Å²	48.3	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.2	166.1	-177.2	-72.9	0	0	0	109.1	G185 Y187 L207 W208 L209 Y223	H183-G185 PolarHBondContact CE1-O 2.97Å; H183-Y187 CarbonylContact C-O 3.45Å; H183-Y187 WeakPolarHBondContact CA-O 3.49Å; H183-L207 PolarHBondContact N-O 3.31Å; H183-W208 HydrophobicContact CB-CD2 4.1Å; H183-W208 HydrophobicContact CB-CE3 3.57Å; H183-W208 HydrophobicContact CB-CZ3 3.91Å; H183-W208 AromaticContact CD2-CZ3 3.54Å; H183-W208 AromaticContact CG-CE3 3.48Å; H183-W208 VanDerWaalsContact CG-CE3 3.48Å; H183-W208 AromaticContact CG-CZ3 3.5Å; H183-W208 VanDerWaalsContact CG-CZ3 3.5Å; H183-W208 AromaticContact ND1-CE3 3.67Å; H183-W208 AromaticContact ND1-CZ3 3.87Å; H183-W208 AromaticContact NE2-CZ3 3.91Å; H183-L209 PolarHBondContact O-N 2.87Å; H183-Y223 AromaticContact CE1-CE1 3.78Å; H183-Y223 AromaticContact ND1-CE1 3.77Å; H183-Y223 AromaticContact ND1-CZ 3.88Å
184	I	98.1	Very high	87.1	Confident	8 Å²	8	45 Å²	45	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	123.1	178.8	-175.4	169.6	0	0	0	110.1	I182 N186 Y187 I189 L209 E211 L214 L266 I298	I182-I184 HydrophobicContact CD1-CG2 4.3Å; I184-N186 PolarHBondContact O-N 3.49Å; I184-Y187 PolarHBondContact N-O 2.82Å; I184-Y187 PolarHBondContact O-N 2.82Å; I184-I189 HydrophobicContact CG2-CD1 3.6Å; I184-I189 HydrophobicContact CG2-CG1 4.41Å; I184-L209 HydrophobicContact CB-CB 4.3Å; I184-L209 HydrophobicContact CD1-CB 4.46Å; I184-L209 HydrophobicContact CG1-CB 4.41Å; I184-E211 HydrophobicContact CG1-CB 3.9Å; I184-L214 HydrophobicContact CD1-CD2 4.33Å; I184-L266 HydrophobicContact CD1-CD2 4.13Å; I184-I298 HydrophobicContact CD1-CG2 4.11Å
185	G	94.9	Very high	88.3	Confident	5 Å²	5	44.1 Å²	44.1	5%	0.052	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-122.4	-172.1	0	0	0	0	0	110.5	H183	H183-G185 PolarHBondContact CE1-O 2.97Å
186	N	94.9	Very high	89.2	Confident	158 Å²	158	41.8 Å²	41.8	85%	0.845	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	15.8	176.5	-62	-38.5	0	0	0	113.5	I184	I184-N186 PolarHBondContact O-N 3.49Å
187	Y	97.3	Very high	90.3	Very high	87 Å²	87	41.6 Å²	41.6	34%	0.341	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.5	-175.2	-63.8	-70.9	0	0	0	112.1	H183 I184 P322 Y323	H183-Y187 CarbonylContact C-O 3.45Å; H183-Y187 WeakPolarHBondContact CA-O 3.49Å; I184-Y187 PolarHBondContact N-O 2.82Å; I184-Y187 PolarHBondContact O-N 2.82Å; Y187-P322 HydrophobicContact CD1-CB 3.84Å; Y187-P322 HydrophobicContact CD1-CG 3.84Å; Y187-P322 HydrophobicContact CD2-CB 4.4Å; Y187-P322 HydrophobicContact CD2-CG 4.28Å; Y187-P322 HydrophobicContact CE1-CB 3.8Å; Y187-P322 HydrophobicContact CE1-CG 4.33Å; Y187-P322 HydrophobicContact CE2-CB 4.35Å; Y187-P322 HydrophobicContact CG-CB 4.15Å; Y187-P322 HydrophobicContact CG-CG 3.82Å; Y187-Y323 HydrophobicContact CE2-CE2 4.33Å; Y187-Y323 AromaticContact CE2-CZ 3.89Å; Y187-Y323 WeakPolarHBondContact CE2-OH 3.45Å
188	E	96.8	Very high	90.8	Very high	105 Å²	105	43.7 Å²	43.7	49%	0.491	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.6	157.2	-67.5	-165.6	169.2	0	0	109.1	K181 I182 K206	K181-E188 HydrophobicContact CD-CB 4.14Å; K181-E188 HydrophobicContact CG-CB 4.41Å; K181-E188 IonicContact NZ-OE2 3.24Å; I182-E188 CarbonylContact O-C 3.57Å; I182-E188 VanDerWaalsContact O-CA 3.31Å; I182-E188 WeakPolarHBondContact O-CA 3.42Å; E188-K206 WeakPolarHBondContact OE1-CE 3.38Å; E188-K206 IonicContact OE1-NZ 2.7Å; E188-K206 PolarHBondContact OE1-NZ 3.12Å
189	I	95.8	Very high	90.7	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.046	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.7	-172.5	-49.3	173.2	0	0	0	108.8	K181 I182 I184 F270 P321 P322	K181-I189 WeakPolarHBondContact CA-O 3.46Å; I182-I189 HydrophobicContact CD1-CB 4.41Å; I182-I189 HydrophobicContact CD1-CD1 4.41Å; I182-I189 HydrophobicContact CG1-CB 3.86Å; I182-I189 PolarHBondContact N-O 2.85Å; I182-I189 PolarHBondContact O-N 3.15Å; I184-I189 HydrophobicContact CG2-CD1 3.6Å; I184-I189 HydrophobicContact CG2-CG1 4.41Å; I189-F270 HydrophobicContact CB-CZ 4.44Å; I189-F270 HydrophobicContact CG2-CE1 3.71Å; I189-F270 HydrophobicContact CG2-CZ 3.66Å; I189-P321 HydrophobicContact CG2-CB 3.92Å; I189-P321 HydrophobicContact CG2-CG 3.66Å; I189-P322 HydrophobicContact CD1-CG 3.68Å; I189-P322 HydrophobicContact CG1-CG 3.89Å
190	D	92.9	Very high	90.5	Very high	96 Å²	96	51.3 Å²	51.3	51%	0.513	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130	173	-56.8	-44.2	0	0	0	110.1	K181	K181-D190 WeakPolarHBondContact CE-OD1 3.5Å; K181-D190 IonicContact NZ-OD1 2.75Å
191	A	92.1	Very high	90.4	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	26%	0.258	C	S	.	.			trans	-75.9	143.7	176.3	0	0	0	0	0	111.2	K177 V179 D180 L269	K177-A191 HydrophobicContact CD-CB 3.72Å; K177-A191 WeakPolarHBondContact CD-O 3.34Å; K177-A191 PolarHBondContact NZ-O 2.85Å; V179-A191 WeakPolarHBondContact O-CB 3.37Å; D180-A191 PolarHBondContact O-N 3.17Å; A191-L269 HydrophobicContact CB-CB 3.95Å; A191-L269 HydrophobicContact CB-CD1 4.49Å; A191-L269 HydrophobicContact CB-CD2 3.65Å; A191-L269 HydrophobicContact CB-CG 4.24Å
192	W	89.8	Confident	89.4	Confident	75 Å²	75	50.2 Å²	50.2	28%	0.284	25%	0.247	S	C	.	.			trans	-97.1	-30	-177	-59.5	-10.2	0	0	0	112.3	R99 L269 F270 P321	R99-W192 WeakPolarHBondContact CA-O 3.46Å; R99-W192 HydrophobicContact CB-CB 4.28Å; W192-L269 PolarHBondContact N-O 3.18Å; W192-F270 HydrophobicContact CD2-CD1 4.06Å; W192-F270 HydrophobicContact CE3-CB 4.26Å; W192-F270 HydrophobicContact CE3-CD1 4.46Å; W192-F270 HydrophobicContact CG-CD1 4.14Å; W192-P321 HydrophobicContact CZ2-CB 4.26Å; W192-P321 HydrophobicContact CZ2-CG 4.05Å
193	Y	87.5	Confident	88.3	Confident	39 Å²	39	55.6 Å²	55.6	15%	0.153	27%	0.271	C	S	.	.	S	Bend	trans	-135.7	160.7	-174.8	-55.6	-76.1	0	0	0	110.9	R99 L269 D272	R99-Y193 HydrophobicContact CB-CE1 4.36Å; Y193-L269 PolarHBondContact N-O 3.44Å; Y193-D272 HydrophobicContact CD1-CB 3.91Å; Y193-D272 WeakPolarHBondContact CD1-OD1 3.29Å; Y193-D272 HydrophobicContact CD2-CB 4.44Å; Y193-D272 HydrophobicContact CE1-CB 3.58Å; Y193-D272 HydrophobicContact CE2-CB 4.15Å; Y193-D272 HydrophobicContact CG-CB 4.33Å
194	F	86.5	Confident	87.5	Confident	37 Å²	37	55.1 Å²	55.1	16%	0.162	27%	0.268	C	S	.	.			trans	-59.6	139.5	168.5	169	-92	0	0	0	111.2	T174 Y178 P196 K268	T174-F194 HydrophobicContact CG2-CB 4.44Å; T174-F194 HydrophobicContact CG2-CD1 3.43Å; T174-F194 VanDerWaalsContact CG2-CD1 3.43Å; T174-F194 HydrophobicContact CG2-CE1 3.95Å; T174-F194 HydrophobicContact CG2-CG 4.17Å; Y178-F194 HydrophobicContact CD2-CE2 4.35Å; F194-P196 HydrophobicContact CE1-CB 3.85Å; F194-P196 HydrophobicContact CE1-CG 4.44Å; F194-P196 HydrophobicContact CZ-CB 4Å; F194-K268 WeakPolarHBondContact O-CG 3.35Å; F194-K268 PolarHBondContact O-NZ 3.41Å
195	S	89.1	Confident	86.7	Confident	5 Å²	5	55.4 Å²	55.4	4%	0.035	27%	0.271	C	S	.	.			trans	-130.8	134.9	168.8	-178.1	0	0	0	0	110.5	F197 L265 L269	S195-F197 PolarHBondContact O-N 3.2Å; S195-F197 WeakPolarHBondContact OG-CE2 3.2Å; S195-L265 WeakPolarHBondContact CB-O 3.35Å; S195-L265 PolarHBondContact OG-O 2.91Å; S195-L269 VanDerWaalsContact CB-CD2 3.46Å
196	P	88.1	Confident	86.5	Confident	24 Å²	24	56.8 Å²	56.8	16%	0.156	28%	0.276	C	S	.	.			trans	-81.1	59.9	-173.1	33.8	-35.3	0	0	0	112	F194 L265 Y277	F194-P196 HydrophobicContact CE1-CB 3.85Å; F194-P196 HydrophobicContact CE1-CG 4.44Å; F194-P196 HydrophobicContact CZ-CB 4Å; P196-L265 HydrophobicContact CG-CD2 4.02Å; P196-L265 WeakPolarHBondContact O-CD2 3.43Å; P196-Y277 HydrophobicContact CB-CE2 4.1Å; P196-Y277 HydrophobicContact CG-CD1 4.01Å; P196-Y277 HydrophobicContact CG-CD2 3.66Å; P196-Y277 HydrophobicContact CG-CE1 3.75Å; P196-Y277 HydrophobicContact CG-CE2 3.35Å; P196-Y277 HydrophobicContact CG-CG 3.99Å; P196-Y277 VanDerWaalsContact CG-CZ 3.42Å
197	F	88.6	Confident	86.6	Confident	9 Å²	9	49.3 Å²	49.3	4%	0.039	24%	0.235	C	C	.	.			trans	-61.3	144.7	167.6	-72.8	-84	0	0	0	109.8	V179 S195 L207 Y216 L265 L269	V179-F197 HydrophobicContact CG2-CD2 4.08Å; S195-F197 PolarHBondContact O-N 3.2Å; S195-F197 WeakPolarHBondContact OG-CE2 3.2Å; F197-L207 HydrophobicContact CB-CD1 4.36Å; F197-L207 HydrophobicContact CD1-CD1 3.79Å; F197-L207 HydrophobicContact CD2-CD1 3.77Å; F197-L207 HydrophobicContact CE1-CD1 3.95Å; F197-L207 HydrophobicContact CE2-CD1 3.93Å; F197-L207 HydrophobicContact CG-CD1 3.7Å; F197-L207 HydrophobicContact CZ-CD1 4.02Å; F197-Y216 AromaticContact CD1-CD1 3.95Å; F197-Y216 HydrophobicContact CD1-CD1 3.95Å; F197-Y216 HydrophobicContact CD1-CD2 4.11Å; F197-Y216 HydrophobicContact CD1-CE1 4.19Å; F197-Y216 HydrophobicContact CD1-CE2 4.35Å; F197-Y216 AromaticContact CD1-CG 3.91Å; F197-Y216 HydrophobicContact CD1-CG 3.91Å; F197-Y216 AromaticContact CE1-CD1 3.72Å; F197-Y216 HydrophobicContact CE1-CD1 3.72Å; F197-Y216 HydrophobicContact CE1-CD2 4.5Å; F197-Y216 HydrophobicContact CE1-CE1 4.27Å; F197-Y216 AromaticContact CE1-CG 3.84Å; F197-Y216 HydrophobicContact CE1-CG 3.84Å; F197-L265 HydrophobicContact CD1-CB 4.17Å; F197-L265 HydrophobicContact CD1-CD1 4.01Å; F197-L265 HydrophobicContact CE1-CB 3.65Å; F197-L265 HydrophobicContact CE1-CD1 4.15Å; F197-L265 HydrophobicContact CE1-CG 4.45Å; F197-L265 HydrophobicContact CE2-CB 4.37Å; F197-L265 HydrophobicContact CZ-CB 3.76Å; F197-L269 HydrophobicContact CE2-CD1 3.91Å; F197-L269 HydrophobicContact CE2-CD2 3.96Å; F197-L269 HydrophobicContact CE2-CG 3.99Å; F197-L269 HydrophobicContact CZ-CD1 4.18Å
198	P	85.9	Confident	86.6	Confident	55 Å²	55	46 Å²	46	36%	0.357	22%	0.223	S	C	.	.			trans	-52.1	144.3	180	-26.9	34.7	0	0	0	112.2	D200 Y201 G202 Y216	P198-D200 PolarHBondContact O-N 2.74Å; P198-Y201 HydrophobicContact CB-CD2 4.25Å; P198-Y201 WeakPolarHBondContact O-CA 3.33Å; P198-Y201 VanDerWaalsContact O-CB 3.32Å; P198-Y201 WeakPolarHBondContact O-CB 3.24Å; P198-Y201 PolarHBondContact O-N 2.92Å; P198-G202 PolarHBondContact O-N 3.26Å; P198-G202 VanDerWaalsContact O-N 3.07Å; P198-Y216 HydrophobicContact CG-CE2 4.43Å; P198-Y216 WeakPolarHBondContact CG-OH 3.44Å
199	E	72.3	Confident	86.6	Confident	137 Å²	137	41.1 Å²	41.1	64%	0.64	20%	0.2	S	C	*	.	H	α-helix	trans	-43.7	-50.2	-156.7	-166.5	177.5	169	0	0	115.4	Y201 G202 K203	E199-Y201 PolarHBondContact O-N 3.08Å; E199-G202 PolarHBondContact O-N 3.34Å; E199-K203 PolarHBondContact O-N 2.85Å; E199-K203 IonicContact OE1-NZ 2.75Å; E199-K203 PolarHBondContact OE1-NZ 3.45Å
200	D	79.6	Confident	86.8	Confident	98 Å²	98	40.7 Å²	40.7	52%	0.524	20%	0.197	S	C	.	.	H	α-helix	trans	-66	-24	-178.7	-51.4	-13.4	0	0	0	114.7	P198 Q204 K218	P198-D200 PolarHBondContact O-N 2.74Å; D200-Q204 WeakPolarHBondContact O-CG 3.16Å; D200-Q204 PolarHBondContact O-NE2 3.43Å; D200-K218 IonicContact OD2-NZ 2.99Å; D200-K218 PolarHBondContact OD2-NZ 3.02Å
201	Y	81.6	Confident	87	Confident	63 Å²	63	37.5 Å²	37.5	25%	0.247	18%	0.18	C	C	.	.	H	α-helix	trans	-87.2	-37.2	177	-64.8	-94.6	0	0	0	110.9	P198 E199 K203 Q204 L207 Y216 K218	P198-Y201 HydrophobicContact CB-CD2 4.25Å; P198-Y201 WeakPolarHBondContact O-CA 3.33Å; P198-Y201 VanDerWaalsContact O-CB 3.32Å; P198-Y201 WeakPolarHBondContact O-CB 3.24Å; P198-Y201 PolarHBondContact O-N 2.92Å; E199-Y201 PolarHBondContact O-N 3.08Å; Y201-K203 PolarHBondContact O-N 2.79Å; Y201-Q204 WeakPolarHBondContact O-CB 3.36Å; Y201-Q204 PolarHBondContact O-N 3.03Å; Y201-Q204 VanDerWaalsContact O-N 3.12Å; Y201-L207 HydrophobicContact CD1-CD2 4.02Å; Y201-Y216 AromaticContact CD1-CD2 3.62Å; Y201-Y216 HydrophobicContact CD1-CD2 3.62Å; Y201-Y216 HydrophobicContact CD1-CE2 4.05Å; Y201-Y216 HydrophobicContact CD2-CD2 4.49Å; Y201-Y216 HydrophobicContact CD2-CE2 4.1Å; Y201-Y216 AromaticContact CE1-CD2 3.81Å; Y201-Y216 HydrophobicContact CE1-CD2 3.81Å; Y201-Y216 HydrophobicContact CE1-CE2 4.13Å; Y201-Y216 HydrophobicContact CE2-CE2 4.22Å; Y201-Y216 AromaticContact CG-CD2 3.98Å; Y201-Y216 HydrophobicContact CG-CD2 3.98Å; Y201-Y216 HydrophobicContact CG-CE2 4.02Å; Y201-K218 HydrophobicContact CD1-CD 4.4Å; Y201-K218 HydrophobicContact CD1-CG 3.46Å; Y201-K218 VanDerWaalsContact CD1-CG 3.46Å; Y201-K218 HydrophobicContact CE1-CD 4.3Å; Y201-K218 HydrophobicContact CE1-CG 3.45Å; Y201-K218 VanDerWaalsContact CE1-CG 3.45Å; Y201-K218 HydrophobicContact CG-CG 4.2Å
202	G	70.2	Confident	87.3	Confident	8 Å²	8	38 Å²	38	8%	0.082	18%	0.181	C	C	.	.	H	α-helix	trans	-54.4	-41.2	178	0	0	0	0	0	111.5	Y178 V179 P198 E199 Q204	Y178-G202 CarbonylContact C-O 3.58Å; Y178-G202 WeakPolarHBondContact CB-O 3.42Å; V179-G202 WeakPolarHBondContact CG2-O 3.48Å; V179-G202 PolarHBondContact N-O 3.43Å; P198-G202 PolarHBondContact O-N 3.26Å; P198-G202 VanDerWaalsContact O-N 3.07Å; E199-G202 PolarHBondContact O-N 3.34Å; G202-Q204 VanDerWaalsContact C-N 3.28Å; G202-Q204 PolarHBondContact O-N 3.15Å
203	K	74.8	Confident	87.7	Confident	113 Å²	113	35.3 Å²	35.3	49%	0.491	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-3	-177.8	-61.3	175.1	-170.5	169	0	115.1	E199 Y201	E199-K203 PolarHBondContact O-N 2.85Å; E199-K203 IonicContact OE1-NZ 2.75Å; E199-K203 PolarHBondContact OE1-NZ 3.45Å; Y201-K203 PolarHBondContact O-N 2.79Å
204	Q	80.1	Confident	88.2	Confident	22 Å²	22	33.5 Å²	33.5	10%	0.103	17%	0.166	C	C	.	.			trans	-82.1	135.9	-178	-57.2	-58.6	-47.5	0	0	110.8	V179 D200 Y201 G202 K206 L207 K218	V179-Q204 WeakPolarHBondContact CA-O 3.49Å; D200-Q204 WeakPolarHBondContact O-CG 3.16Å; D200-Q204 PolarHBondContact O-NE2 3.43Å; Y201-Q204 WeakPolarHBondContact O-CB 3.36Å; Y201-Q204 PolarHBondContact O-N 3.03Å; Y201-Q204 VanDerWaalsContact O-N 3.12Å; G202-Q204 VanDerWaalsContact C-N 3.28Å; G202-Q204 PolarHBondContact O-N 3.15Å; Q204-K206 PolarHBondContact O-N 3.24Å; Q204-L207 HydrophobicContact CB-CD2 4.11Å; Q204-L207 HydrophobicContact CG-CD2 4.38Å; Q204-K218 HydrophobicContact CG-CB 4.47Å; Q204-K218 HydrophobicContact CG-CG 4.3Å
205	P	82.9	Confident	88.8	Confident	15 Å²	15	36.3 Å²	36.3	10%	0.097	18%	0.178	C	C	.	.	S	Bend	trans	-63.4	-34.4	176.3	28.3	-37.5	0	0	0	111.5	Q83 D180 K181	Q83-P205 HydrophobicContact CB-CG 4.28Å; Q83-P205 HydrophobicContact CG-CG 4.12Å; D180-P205 WeakPolarHBondContact CA-O 3.33Å; D180-P205 WeakPolarHBondContact CB-O 3.3Å; D180-P205 PolarHBondContact N-O 3.05Å; K181-P205 PolarHBondContact N-O 2.75Å
206	K	90.8	Very high	89.1	Confident	34 Å²	34	38 Å²	38	15%	0.148	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.9	-178.6	-172.6	179	-178.3	-178.8	0	111.7	K181 E188 Q204 W208	K181-K206 VanDerWaalsContact O-CA 3.26Å; K181-K206 WeakPolarHBondContact O-CA 3.49Å; E188-K206 WeakPolarHBondContact OE1-CE 3.38Å; E188-K206 IonicContact OE1-NZ 2.7Å; E188-K206 PolarHBondContact OE1-NZ 3.12Å; Q204-K206 PolarHBondContact O-N 3.24Å; K206-W208 HydrophobicContact CD-CZ2 3.92Å; K206-W208 VanDerWaalsContact NZ-CH2 3.27Å
207	L	95.6	Very high	89.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.2	168.6	-69.2	-178.7	0	0	0	111.7	V179 K181 I182 H183 F197 Y201 Q204 L209	V179-L207 HydrophobicContact CB-CD1 4.45Å; V179-L207 HydrophobicContact CG1-CB 4.32Å; V179-L207 HydrophobicContact CG1-CD1 3.9Å; V179-L207 HydrophobicContact CG1-CG 3.89Å; V179-L207 HydrophobicContact CG2-CD1 3.68Å; V179-L207 HydrophobicContact CG2-CG 4.08Å; K181-L207 PolarHBondContact O-N 3.42Å; I182-L207 CarbonylContact C-O 3.47Å; I182-L207 VanDerWaalsContact CA-O 3.29Å; I182-L207 WeakPolarHBondContact CA-O 3.42Å; I182-L207 HydrophobicContact CG2-CB 4.31Å; H183-L207 PolarHBondContact N-O 3.31Å; F197-L207 HydrophobicContact CB-CD1 4.36Å; F197-L207 HydrophobicContact CD1-CD1 3.79Å; F197-L207 HydrophobicContact CD2-CD1 3.77Å; F197-L207 HydrophobicContact CE1-CD1 3.95Å; F197-L207 HydrophobicContact CE2-CD1 3.93Å; F197-L207 HydrophobicContact CG-CD1 3.7Å; F197-L207 HydrophobicContact CZ-CD1 4.02Å; Y201-L207 HydrophobicContact CD1-CD2 4.02Å; Q204-L207 HydrophobicContact CB-CD2 4.11Å; Q204-L207 HydrophobicContact CG-CD2 4.38Å; L207-L209 HydrophobicContact CB-CD1 3.84Å
208	W	97.3	Very high	89.7	Confident	19 Å²	19	38.7 Å²	38.7	7%	0.072	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.8	178.2	-57.6	79.4	0	0	0	109.5	H183 K206 Y216 M217 E220 Y223	H183-W208 HydrophobicContact CB-CD2 4.1Å; H183-W208 HydrophobicContact CB-CE3 3.57Å; H183-W208 HydrophobicContact CB-CZ3 3.91Å; H183-W208 AromaticContact CD2-CZ3 3.54Å; H183-W208 AromaticContact CG-CE3 3.48Å; H183-W208 VanDerWaalsContact CG-CE3 3.48Å; H183-W208 AromaticContact CG-CZ3 3.5Å; H183-W208 VanDerWaalsContact CG-CZ3 3.5Å; H183-W208 AromaticContact ND1-CE3 3.67Å; H183-W208 AromaticContact ND1-CZ3 3.87Å; H183-W208 AromaticContact NE2-CZ3 3.91Å; K206-W208 HydrophobicContact CD-CZ2 3.92Å; K206-W208 VanDerWaalsContact NZ-CH2 3.27Å; W208-Y216 CarbonylContact O-C 3.52Å; W208-Y216 WeakPolarHBondContact O-CA 3.41Å; W208-M217 HydrophobicContact CB-CB 4.28Å; W208-M217 PolarHBondContact N-O 3.39Å; W208-M217 PolarHBondContact O-N 2.87Å; W208-E220 HydrophobicContact CD2-CB 4.25Å; W208-E220 HydrophobicContact CD2-CG 4.47Å; W208-E220 HydrophobicContact CE3-CB 4.46Å; W208-E220 HydrophobicContact CE3-CG 4.18Å; W208-E220 HydrophobicContact CH2-CB 3.73Å; W208-E220 HydrophobicContact CH2-CG 3.45Å; W208-E220 VanDerWaalsContact CH2-CG 3.45Å; W208-E220 HydrophobicContact CZ2-CB 3.49Å; W208-E220 VanDerWaalsContact CZ2-CB 3.49Å; W208-E220 HydrophobicContact CZ2-CG 3.8Å; W208-E220 HydrophobicContact CZ3-CB 4.22Å; W208-E220 HydrophobicContact CZ3-CG 3.67Å; W208-Y223 HydrophobicContact CB-CD2 3.97Å; W208-Y223 HydrophobicContact CB-CG 3.81Å; W208-Y223 HydrophobicContact CD2-CD1 4.43Å; W208-Y223 HydrophobicContact CD2-CG 4.48Å; W208-Y223 AromaticContact CE3-CD1 3.62Å; W208-Y223 HydrophobicContact CE3-CD1 3.62Å; W208-Y223 HydrophobicContact CE3-CE1 4.11Å; W208-Y223 HydrophobicContact CE3-CG 4.06Å; W208-Y223 HydrophobicContact CG-CG 4.43Å; W208-Y223 HydrophobicContact CZ3-CD1 4.27Å
209	L	98.4	Very high	90	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.9	-176.6	-74.1	74.8	0	0	0	110.7	I182 H183 I184 L207 E211 K215 Y223 L266	I182-L209 HydrophobicContact CB-CD1 3.98Å; I182-L209 HydrophobicContact CG2-CD1 3.96Å; H183-L209 PolarHBondContact O-N 2.87Å; I184-L209 HydrophobicContact CB-CB 4.3Å; I184-L209 HydrophobicContact CD1-CB 4.46Å; I184-L209 HydrophobicContact CG1-CB 4.41Å; L207-L209 HydrophobicContact CB-CD1 3.84Å; L209-E211 PolarHBondContact O-N 3.49Å; L209-K215 WeakPolarHBondContact CA-O 3.32Å; L209-Y223 WeakPolarHBondContact O-CE2 3.27Å; L209-L266 HydrophobicContact CD2-CB 4.22Å; L209-L266 HydrophobicContact CD2-CD1 3.88Å; L209-L266 HydrophobicContact CD2-CD2 4.31Å; L209-L266 HydrophobicContact CD2-CG 4.36Å
210	C	98.5	Very high	91.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.18	C	C	.	.			trans	-65.9	126.4	165.5	-179.8	0	0	0	0	109.6	Y212 C213 L214 K215 M217 H226	C210-Y212 PolarHBondContact O-N 2.84Å; C210-C213 PolarHBondContact SG-N 2.76Å; C210-C213 VanDerWaalsContact SG-SG 3.63Å; C210-L214 WeakPolarHBondContact O-CA 3.44Å; C210-L214 PolarHBondContact O-N 3.24Å; C210-K215 PolarHBondContact N-O 2.99Å; C210-M217 HydrophobicContact CB-CE 4.45Å; C210-H226 WeakPolarHBondContact CB-NE2 3.46Å; C210-H226 PolarHBondContact SG-NE2 3.21Å
211	E	98.1	Very high	91.8	Very high	30 Å²	30	43.4 Å²	43.4	14%	0.14	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.7	179.6	67.2	-173.3	129.7	0	0	114	I184 L209 H297	I184-E211 HydrophobicContact CG1-CB 3.9Å; L209-E211 PolarHBondContact O-N 3.49Å; E211-H297 IonicContact OE2-CE1 2.94Å; E211-H297 IonicContact OE2-CG 3.56Å; E211-H297 IonicContact OE2-ND1 3.73Å; E211-H297 PolarHBondContact OE2-ND1 3.4Å
212	Y	98.4	Very high	92.5	Very high	14 Å²	14	42.5 Å²	42.5	6%	0.055	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-49.6	-177.7	-54.2	-66.1	0	0	0	113.1	C210 W232 R233 Y259 H297	C210-Y212 PolarHBondContact O-N 2.84Å; Y212-W232 VanDerWaalsContact CB-O 3.31Å; Y212-W232 WeakPolarHBondContact CB-O 3.39Å; Y212-W232 VanDerWaalsContact CD2-O 3.23Å; Y212-W232 WeakPolarHBondContact CD2-O 3.04Å; Y212-W232 VanDerWaalsContact CG-O 3.24Å; Y212-R233 VanDerWaalsContact CD1-C 3.41Å; Y212-Y259 WeakPolarHBondContact O-CE2 3.2Å; Y212-H297 PolarHBondContact OH-CE1 3.49Å; Y212-H297 VanDerWaalsContact OH-CE1 3.25Å
213	C	98.2	Very high	93.8	Very high	19 Å²	19	42.7 Å²	42.7	13%	0.128	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-3.4	-177.9	78.3	0	0	0	0	114	C210 K215 H226 W232	C210-C213 PolarHBondContact SG-N 2.76Å; C210-C213 VanDerWaalsContact SG-SG 3.63Å; C213-K215 PolarHBondContact O-N 3.49Å; C213-K215 VanDerWaalsContact SG-CB 3.53Å; C213-H226 VanDerWaalsContact SG-CE1 3.59Å; C213-H226 PolarHBondContact SG-NE2 2.8Å; C213-W232 HydrophobicContact CB-CB 4.34Å; C213-W232 HydrophobicContact CB-CG 4.11Å
214	L	98.5	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.195	C	C	.	.			trans	60.6	8.7	179.9	-52.8	179.6	0	0	0	115.3	I184 C210 Y216 Y259 N262 L263 L266 I298	I184-L214 HydrophobicContact CD1-CD2 4.33Å; C210-L214 WeakPolarHBondContact O-CA 3.44Å; C210-L214 PolarHBondContact O-N 3.24Å; L214-Y216 PolarHBondContact O-N 3.16Å; L214-Y259 HydrophobicContact CB-CE2 4.41Å; L214-Y259 HydrophobicContact CD1-CD2 4.23Å; L214-Y259 HydrophobicContact CD1-CE1 4.13Å; L214-Y259 HydrophobicContact CD1-CE2 3.62Å; L214-Y259 HydrophobicContact CG-CD2 4.27Å; L214-Y259 HydrophobicContact CG-CE2 3.66Å; L214-N262 HydrophobicContact CB-CB 3.68Å; L214-N262 WeakPolarHBondContact O-CB 3.34Å; L214-L263 HydrophobicContact CD1-CB 3.66Å; L214-L263 HydrophobicContact CD1-CD1 3.82Å; L214-L263 HydrophobicContact CD1-CG 4.29Å; L214-L266 HydrophobicContact CD2-CD2 4.14Å; L214-I298 HydrophobicContact CD1-CD1 4.33Å; L214-I298 HydrophobicContact CD2-CD1 4.33Å; L214-I298 HydrophobicContact CD2-CG2 4.33Å
215	K	97.9	Very high	95.8	Very high	96 Å²	96	50.1 Å²	50.1	42%	0.417	22%	0.221	S	C	.	.			trans	-57.1	125.9	173.2	-177.9	178.1	177.2	66.5	0	109.4	L209 C210 C213 M217	L209-K215 WeakPolarHBondContact CA-O 3.32Å; C210-K215 PolarHBondContact N-O 2.99Å; C213-K215 PolarHBondContact O-N 3.49Å; C213-K215 VanDerWaalsContact SG-CB 3.53Å; K215-M217 HydrophobicContact CG-CE 4.45Å; K215-M217 VanDerWaalsContact O-CE 3.25Å; K215-M217 WeakPolarHBondContact O-CE 3.3Å
216	Y	96.4	Very high	96.5	Very high	40 Å²	40	50.9 Å²	50.9	16%	0.157	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.2	172.6	51.8	-93.2	0	0	0	111.1	F197 P198 Y201 W208 L214 N262 L265	F197-Y216 AromaticContact CD1-CD1 3.95Å; F197-Y216 HydrophobicContact CD1-CD1 3.95Å; F197-Y216 HydrophobicContact CD1-CD2 4.11Å; F197-Y216 HydrophobicContact CD1-CE1 4.19Å; F197-Y216 HydrophobicContact CD1-CE2 4.35Å; F197-Y216 AromaticContact CD1-CG 3.91Å; F197-Y216 HydrophobicContact CD1-CG 3.91Å; F197-Y216 AromaticContact CE1-CD1 3.72Å; F197-Y216 HydrophobicContact CE1-CD1 3.72Å; F197-Y216 HydrophobicContact CE1-CD2 4.5Å; F197-Y216 HydrophobicContact CE1-CE1 4.27Å; F197-Y216 AromaticContact CE1-CG 3.84Å; F197-Y216 HydrophobicContact CE1-CG 3.84Å; P198-Y216 HydrophobicContact CG-CE2 4.43Å; P198-Y216 WeakPolarHBondContact CG-OH 3.44Å; Y201-Y216 AromaticContact CD1-CD2 3.62Å; Y201-Y216 HydrophobicContact CD1-CD2 3.62Å; Y201-Y216 HydrophobicContact CD1-CE2 4.05Å; Y201-Y216 HydrophobicContact CD2-CD2 4.49Å; Y201-Y216 HydrophobicContact CD2-CE2 4.1Å; Y201-Y216 AromaticContact CE1-CD2 3.81Å; Y201-Y216 HydrophobicContact CE1-CD2 3.81Å; Y201-Y216 HydrophobicContact CE1-CE2 4.13Å; Y201-Y216 HydrophobicContact CE2-CE2 4.22Å; Y201-Y216 AromaticContact CG-CD2 3.98Å; Y201-Y216 HydrophobicContact CG-CD2 3.98Å; Y201-Y216 HydrophobicContact CG-CE2 4.02Å; W208-Y216 CarbonylContact O-C 3.52Å; W208-Y216 WeakPolarHBondContact O-CA 3.41Å; L214-Y216 PolarHBondContact O-N 3.16Å; Y216-N262 WeakPolarHBondContact CE1-OD1 3.37Å; Y216-L265 HydrophobicContact CE1-CD1 3.77Å
217	M	96.1	Very high	96.8	Very high	9 Å²	9	52.1 Å²	52.1	4%	0.044	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.1	-176.2	-74.8	156	-76.9	0	0	110	W208 C210 K215 Y223 H226	W208-M217 HydrophobicContact CB-CB 4.28Å; W208-M217 PolarHBondContact N-O 3.39Å; W208-M217 PolarHBondContact O-N 2.87Å; C210-M217 HydrophobicContact CB-CE 4.45Å; K215-M217 HydrophobicContact CG-CE 4.45Å; K215-M217 VanDerWaalsContact O-CE 3.25Å; K215-M217 WeakPolarHBondContact O-CE 3.3Å; M217-Y223 HydrophobicContact CE-CD2 3.67Å; M217-Y223 VanDerWaalsContact SD-CA 3.56Å; M217-H226 HydrophobicContact CE-CB 4.16Å; M217-H226 HydrophobicContact SD-CB 3.48Å; M217-H226 WeakPolarHBondContact SD-CB 3.35Å
218	K	92.4	Very high	96.9	Very high	39 Å²	39	55 Å²	55	17%	0.17	26%	0.26	C	S	.	.	S	Bend	trans	-76.1	-40.9	-179.1	-59	-178	-176	170.1	0	112.4	D200 Y201 Q204	D200-K218 IonicContact OD2-NZ 2.99Å; D200-K218 PolarHBondContact OD2-NZ 3.02Å; Y201-K218 HydrophobicContact CD1-CD 4.4Å; Y201-K218 HydrophobicContact CD1-CG 3.46Å; Y201-K218 VanDerWaalsContact CD1-CG 3.46Å; Y201-K218 HydrophobicContact CE1-CD 4.3Å; Y201-K218 HydrophobicContact CE1-CG 3.45Å; Y201-K218 VanDerWaalsContact CE1-CG 3.45Å; Y201-K218 HydrophobicContact CG-CG 4.2Å; Q204-K218 HydrophobicContact CG-CB 4.47Å; Q204-K218 HydrophobicContact CG-CG 4.3Å
219	Y	92.1	Very high	96.9	Very high	135 Å²	135	59.7 Å²	59.7	53%	0.529	28%	0.283	S	S	.	.			trans	-120.6	149.6	-168.5	-51.4	-65.4	0	0	0	112.9	K221 S222 Y223	Y219-K221 VanDerWaalsContact C-N 3.29Å; Y219-K221 PolarHBondContact O-N 3.12Å; Y219-S222 PolarHBondContact N-OG 3.2Å; Y219-S222 PolarHBondContact O-N 2.92Å; Y219-S222 PolarHBondContact O-OG 2.72Å; Y219-Y223 PolarHBondContact O-N 3.37Å
220	E	94.4	Very high	96.9	Very high	77 Å²	77	60.1 Å²	60.1	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-40.4	175.2	-167.1	178.2	-178.6	0	0	112.3	W208 S222 Y223 R224	W208-E220 HydrophobicContact CD2-CB 4.25Å; W208-E220 HydrophobicContact CD2-CG 4.47Å; W208-E220 HydrophobicContact CE3-CB 4.46Å; W208-E220 HydrophobicContact CE3-CG 4.18Å; W208-E220 HydrophobicContact CH2-CB 3.73Å; W208-E220 HydrophobicContact CH2-CG 3.45Å; W208-E220 VanDerWaalsContact CH2-CG 3.45Å; W208-E220 HydrophobicContact CZ2-CB 3.49Å; W208-E220 VanDerWaalsContact CZ2-CB 3.49Å; W208-E220 HydrophobicContact CZ2-CG 3.8Å; W208-E220 HydrophobicContact CZ3-CB 4.22Å; W208-E220 HydrophobicContact CZ3-CG 3.67Å; E220-S222 VanDerWaalsContact C-N 3.34Å; E220-S222 PolarHBondContact O-N 3.21Å; E220-Y223 WeakPolarHBondContact O-CA 3.43Å; E220-Y223 WeakPolarHBondContact O-CB 3.39Å; E220-Y223 PolarHBondContact O-N 2.96Å; E220-Y223 VanDerWaalsContact O-N 3.1Å; E220-R224 VanDerWaalsContact CD-CZ 3.44Å; E220-R224 HydrophobicContact CG-CG 4.29Å; E220-R224 WeakPolarHBondContact O-CG 3.46Å; E220-R224 PolarHBondContact O-N 3.14Å; E220-R224 IonicContact OE1-CZ 3.2Å; E220-R224 IonicContact OE1-NE 3.04Å; E220-R224 PolarHBondContact OE1-NE 3.26Å; E220-R224 IonicContact OE1-NH2 2.65Å; E220-R224 PolarHBondContact OE1-NH2 3.15Å; E220-R224 IonicContact OE2-CZ 3.79Å; E220-R224 IonicContact OE2-NH2 2.97Å; E220-R224 PolarHBondContact OE2-NH2 3.47Å
221	K	95.5	Very high	96.8	Very high	177 Å²	177	67.8 Å²	67.8	77%	0.77	32%	0.322	S	S	*	.	H	α-helix	trans	-57.6	-46.7	177.6	-69.2	-177.2	-178.8	176.2	0	111.6	Y219 Y223 F225	Y219-K221 VanDerWaalsContact C-N 3.29Å; Y219-K221 PolarHBondContact O-N 3.12Å; K221-Y223 VanDerWaalsContact C-N 3.32Å; K221-Y223 PolarHBondContact O-N 3.15Å; K221-F225 WeakPolarHBondContact O-CB 3.27Å; K221-F225 PolarHBondContact O-N 3.23Å
222	S	96.6	Very high	96.8	Very high	45 Å²	45	72.3 Å²	72.3	32%	0.315	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-35.9	176	46.1	0	0	0	0	112.4	Y219 E220 H226	Y219-S222 PolarHBondContact N-OG 3.2Å; Y219-S222 PolarHBondContact O-N 2.92Å; Y219-S222 PolarHBondContact O-OG 2.72Å; E220-S222 VanDerWaalsContact C-N 3.34Å; E220-S222 PolarHBondContact O-N 3.21Å; S222-H226 WeakPolarHBondContact O-CB 3.43Å; S222-H226 PolarHBondContact O-N 2.59Å
223	Y	97.6	Very high	96.8	Very high	12 Å²	12	76.6 Å²	76.6	5%	0.047	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-51	175.8	173.2	-111.3	0	0	0	112.6	H183 W208 L209 M217 Y219 E220 K221 F225 H226 L227	H183-Y223 AromaticContact CE1-CE1 3.78Å; H183-Y223 AromaticContact ND1-CE1 3.77Å; H183-Y223 AromaticContact ND1-CZ 3.88Å; W208-Y223 HydrophobicContact CB-CD2 3.97Å; W208-Y223 HydrophobicContact CB-CG 3.81Å; W208-Y223 HydrophobicContact CD2-CD1 4.43Å; W208-Y223 HydrophobicContact CD2-CG 4.48Å; W208-Y223 AromaticContact CE3-CD1 3.62Å; W208-Y223 HydrophobicContact CE3-CD1 3.62Å; W208-Y223 HydrophobicContact CE3-CE1 4.11Å; W208-Y223 HydrophobicContact CE3-CG 4.06Å; W208-Y223 HydrophobicContact CG-CG 4.43Å; W208-Y223 HydrophobicContact CZ3-CD1 4.27Å; L209-Y223 WeakPolarHBondContact O-CE2 3.27Å; M217-Y223 HydrophobicContact CE-CD2 3.67Å; M217-Y223 VanDerWaalsContact SD-CA 3.56Å; Y219-Y223 PolarHBondContact O-N 3.37Å; E220-Y223 WeakPolarHBondContact O-CA 3.43Å; E220-Y223 WeakPolarHBondContact O-CB 3.39Å; E220-Y223 PolarHBondContact O-N 2.96Å; E220-Y223 VanDerWaalsContact O-N 3.1Å; K221-Y223 VanDerWaalsContact C-N 3.32Å; K221-Y223 PolarHBondContact O-N 3.15Å; Y223-F225 VanDerWaalsContact C-N 3.32Å; Y223-F225 PolarHBondContact O-N 2.86Å; Y223-H226 WeakPolarHBondContact O-CB 3.24Å; Y223-H226 PolarHBondContact O-N 2.98Å; Y223-H226 VanDerWaalsContact O-N 3.12Å; Y223-L227 HydrophobicContact CD1-CD1 4.2Å; Y223-L227 HydrophobicContact CD2-CG 4.45Å; Y223-L227 HydrophobicContact CE1-CD1 3.59Å; Y223-L227 HydrophobicContact CE1-CG 4.24Å; Y223-L227 HydrophobicContact CE2-CD1 4.23Å; Y223-L227 HydrophobicContact CE2-CD2 3.99Å; Y223-L227 HydrophobicContact CE2-CG 4.06Å; Y223-L227 WeakPolarHBondContact O-CG 3.34Å; Y223-L227 PolarHBondContact O-N 3.2Å
224	R	97.4	Very high	96.8	Very high	144 Å²	144	80.1 Å²	80.1	54%	0.543	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-40.8	177.4	-64.4	-172.7	-152.7	143.2	-6.3	111.8	E220 L227 G228	E220-R224 VanDerWaalsContact CD-CZ 3.44Å; E220-R224 HydrophobicContact CG-CG 4.29Å; E220-R224 WeakPolarHBondContact O-CG 3.46Å; E220-R224 PolarHBondContact O-N 3.14Å; E220-R224 IonicContact OE1-CZ 3.2Å; E220-R224 IonicContact OE1-NE 3.04Å; E220-R224 PolarHBondContact OE1-NE 3.26Å; E220-R224 IonicContact OE1-NH2 2.65Å; E220-R224 PolarHBondContact OE1-NH2 3.15Å; E220-R224 IonicContact OE2-CZ 3.79Å; E220-R224 IonicContact OE2-NH2 2.97Å; E220-R224 PolarHBondContact OE2-NH2 3.47Å; R224-L227 PolarHBondContact O-N 3.18Å; R224-G228 PolarHBondContact O-N 3.13Å
225	F	98.1	Very high	96.8	Very high	146 Å²	146	80.3 Å²	80.3	64%	0.64	37%	0.37	S	S	*	.	H	α-helix	trans	-60.5	-45.9	173.4	-179.2	-96.9	0	0	0	111.4	K221 Y223 L227 G228 Q229	K221-F225 WeakPolarHBondContact O-CB 3.27Å; K221-F225 PolarHBondContact O-N 3.23Å; Y223-F225 VanDerWaalsContact C-N 3.32Å; Y223-F225 PolarHBondContact O-N 2.86Å; F225-L227 PolarHBondContact O-N 3.16Å; F225-G228 PolarHBondContact O-N 3.37Å; F225-Q229 HydrophobicContact CD1-CG 4.39Å; F225-Q229 HydrophobicContact CE1-CG 3.93Å; F225-Q229 HydrophobicContact CE2-CG 4.47Å; F225-Q229 HydrophobicContact CZ-CG 3.98Å; F225-Q229 WeakPolarHBondContact O-CG 3.36Å; F225-Q229 PolarHBondContact O-N 3.38Å
226	H	98.4	Very high	96.9	Very high	31 Å²	31	76.1 Å²	76.1	14%	0.144	35%	0.352	C	S	.	.	H	α-helix	trans	-60.8	-41.7	176.3	175.4	77.5	0	0	0	112.5	C210 C213 M217 S222 Y223 G228 Q229 C230	C210-H226 WeakPolarHBondContact CB-NE2 3.46Å; C210-H226 PolarHBondContact SG-NE2 3.21Å; C213-H226 VanDerWaalsContact SG-CE1 3.59Å; C213-H226 PolarHBondContact SG-NE2 2.8Å; M217-H226 HydrophobicContact CE-CB 4.16Å; M217-H226 HydrophobicContact SD-CB 3.48Å; M217-H226 WeakPolarHBondContact SD-CB 3.35Å; S222-H226 WeakPolarHBondContact O-CB 3.43Å; S222-H226 PolarHBondContact O-N 2.59Å; Y223-H226 WeakPolarHBondContact O-CB 3.24Å; Y223-H226 PolarHBondContact O-N 2.98Å; Y223-H226 VanDerWaalsContact O-N 3.12Å; H226-G228 PolarHBondContact O-N 3.06Å; H226-Q229 PolarHBondContact O-N 3.42Å; H226-C230 WeakPolarHBondContact O-CB 3.27Å; H226-C230 PolarHBondContact O-N 3.02Å
227	L	97	Very high	96.9	Very high	60 Å²	60	76 Å²	76	31%	0.314	36%	0.364	S	S	.	.	H	α-helix	trans	-59.1	-34.7	176.6	-70.5	-178.2	0	0	0	112.8	Y223 R224 F225 Q229	Y223-L227 HydrophobicContact CD1-CD1 4.2Å; Y223-L227 HydrophobicContact CD2-CG 4.45Å; Y223-L227 HydrophobicContact CE1-CD1 3.59Å; Y223-L227 HydrophobicContact CE1-CG 4.24Å; Y223-L227 HydrophobicContact CE2-CD1 4.23Å; Y223-L227 HydrophobicContact CE2-CD2 3.99Å; Y223-L227 HydrophobicContact CE2-CG 4.06Å; Y223-L227 WeakPolarHBondContact O-CG 3.34Å; Y223-L227 PolarHBondContact O-N 3.2Å; R224-L227 PolarHBondContact O-N 3.18Å; F225-L227 PolarHBondContact O-N 3.16Å; L227-Q229 VanDerWaalsContact C-N 3.34Å
228	G	96.7	Very high	97	Very high	60 Å²	60	81.4 Å²	81.4	62%	0.619	39%	0.387	S	S	*	.	H	α-helix	trans	-73.2	-21.7	175.7	0	0	0	0	0	114.6	R224 F225 H226	R224-G228 PolarHBondContact O-N 3.13Å; F225-G228 PolarHBondContact O-N 3.37Å; H226-G228 PolarHBondContact O-N 3.06Å
229	Q	97.9	Very high	97.3	Very high	119 Å²	119	83.1 Å²	83.1	56%	0.556	40%	0.395	S	S	*	.	H	α-helix	trans	-103.6	-29.7	-177.5	-64.2	-60.6	-49.8	0	0	113.3	F225 H226 L227 Q231	F225-Q229 HydrophobicContact CD1-CG 4.39Å; F225-Q229 HydrophobicContact CE1-CG 3.93Å; F225-Q229 HydrophobicContact CE2-CG 4.47Å; F225-Q229 HydrophobicContact CZ-CG 3.98Å; F225-Q229 WeakPolarHBondContact O-CG 3.36Å; F225-Q229 PolarHBondContact O-N 3.38Å; H226-Q229 PolarHBondContact O-N 3.42Å; L227-Q229 VanDerWaalsContact C-N 3.34Å; Q229-Q231 PolarHBondContact O-N 3Å; Q229-Q231 PolarHBondContact O-NE2 3.26Å
230	C	97.8	Very high	97.6	Very high	9 Å²	9	76.7 Å²	76.7	6%	0.061	37%	0.371	C	S	.	.			trans	-67.3	122.3	-174.9	-173.3	0	0	0	0	110.8	H226 R233	H226-C230 WeakPolarHBondContact O-CB 3.27Å; H226-C230 PolarHBondContact O-N 3.02Å; C230-R233 PolarHBondContact O-NH1 2.96Å
231	Q	97.6	Very high	97.8	Very high	161 Å²	161	73.3 Å²	73.3	75%	0.752	35%	0.354	S	S	*	.			trans	-90.3	-9.1	178.8	-56	-54.9	-47	0	0	113.1	Q229	Q229-Q231 PolarHBondContact O-N 3Å; Q229-Q231 PolarHBondContact O-NE2 3.26Å
232	W	98.1	Very high	98	Very high	125 Å²	125	69.9 Å²	69.9	47%	0.473	34%	0.337	S	S	.	.			trans	-71.5	131	179.3	-64.1	94.7	0	0	0	110.8	Y212 C213 P236	Y212-W232 VanDerWaalsContact CB-O 3.31Å; Y212-W232 WeakPolarHBondContact CB-O 3.39Å; Y212-W232 VanDerWaalsContact CD2-O 3.23Å; Y212-W232 WeakPolarHBondContact CD2-O 3.04Å; Y212-W232 VanDerWaalsContact CG-O 3.24Å; C213-W232 HydrophobicContact CB-CB 4.34Å; C213-W232 HydrophobicContact CB-CG 4.11Å; W232-P236 HydrophobicContact CH2-CB 4.01Å; W232-P236 HydrophobicContact CZ3-CB 3.83Å
233	R	98.3	Very high	98	Very high	104 Å²	104	71.8 Å²	71.8	39%	0.392	34%	0.339	S	S	.	.			trans	-129.2	13.1	172.1	-66.3	-60.8	-178.2	-84.2	-3	112.9	Y212 C230 Q294 G295 A296	Y212-R233 VanDerWaalsContact CD1-C 3.41Å; C230-R233 PolarHBondContact O-NH1 2.96Å; R233-Q294 VanDerWaalsContact CD-O 3.32Å; R233-Q294 WeakPolarHBondContact CD-O 3.46Å; R233-G295 CarbonylContact O-C 3.57Å; R233-G295 VanDerWaalsContact O-CA 3.22Å; R233-G295 WeakPolarHBondContact O-CA 3.36Å; R233-A296 PolarHBondContact O-N 3.13Å
234	Q	98.5	Very high	98	Very high	94 Å²	94	76.2 Å²	76.2	44%	0.439	37%	0.372	S	S	.	.	S	Bend	trans	-161.7	162.9	177.6	57.5	-174.8	62.9	0	0	109	Y249 A296	Q234-Y249 HydrophobicContact CB-CE1 4.15Å; Q234-Y249 HydrophobicContact CG-CE1 4.32Å; Q234-A296 HydrophobicContact CB-CB 3.78Å
235	P	98.6	Very high	98	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.019	36%	0.363	C	S	.	.			trans	-54	152.2	168.4	-25.5	35.4	0	0	0	111.7	Y249 I287 T289	P235-Y249 HydrophobicContact CB-CD1 4.27Å; P235-Y249 HydrophobicContact CB-CD2 4.1Å; P235-Y249 HydrophobicContact CB-CG 3.82Å; P235-Y249 HydrophobicContact CG-CD2 3.7Å; P235-Y249 HydrophobicContact CG-CE2 4.18Å; P235-Y249 HydrophobicContact CG-CG 3.98Å; P235-I287 HydrophobicContact CB-CB 4.25Å; P235-I287 HydrophobicContact CB-CG1 4.33Å; P235-I287 HydrophobicContact CB-CG2 4.31Å; P235-I287 HydrophobicContact CG-CB 4.08Å; P235-I287 HydrophobicContact CG-CG2 3.76Å; P235-T289 HydrophobicContact CG-CG2 3.58Å
236	P	98.4	Very high	98	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.052	34%	0.335	C	S	.	.	S	Bend	trans	-67.5	-172	169	33.4	-36.4	0	0	0	110.6	W232 V251 H256 Y259	W232-P236 HydrophobicContact CH2-CB 4.01Å; W232-P236 HydrophobicContact CZ3-CB 3.83Å; P236-V251 HydrophobicContact CG-CG1 4.02Å; P236-V251 HydrophobicContact CG-CG2 4.45Å; P236-V251 VanDerWaalsContact O-CG2 3.3Å; P236-V251 WeakPolarHBondContact O-CG2 3.39Å; P236-H256 HydrophobicContact CG-CB 4.18Å; P236-Y259 VanDerWaalsContact CD-CE2 3.48Å; P236-Y259 HydrophobicContact CG-CD1 3.65Å; P236-Y259 HydrophobicContact CG-CD2 3.88Å; P236-Y259 HydrophobicContact CG-CE1 4.07Å; P236-Y259 HydrophobicContact CG-CE2 4.27Å; P236-Y259 HydrophobicContact CG-CG 3.54Å
237	G	97.6	Very high	98	Very high	39 Å²	39	64.7 Å²	64.7	40%	0.402	33%	0.329	S	S	.	.	S	Bend	trans	73.3	-151.8	179.5	0	0	0	0	0	113.1	E250 H256	G237-E250 WeakPolarHBondContact CA-O 3.4Å; G237-H256 PolarHBondContact N-NE2 2.8Å
238	K	98.3	Very high	98.1	Very high	121 Å²	121	61.8 Å²	61.8	53%	0.526	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.7	-168.7	-174.6	-179.7	176.4	-172.6	0	111.3	I240 Y249 E250	K238-I240 HydrophobicContact CB-CG2 4.23Å; K238-I240 HydrophobicContact CD-CG2 3.95Å; K238-I240 HydrophobicContact CG-CG2 3.91Å; K238-I240 PolarHBondContact O-N 3.09Å; K238-I240 VanDerWaalsContact O-N 3.11Å; K238-Y249 CarbonylContact O-C 3.59Å; K238-Y249 VanDerWaalsContact O-CA 3.28Å; K238-Y249 WeakPolarHBondContact O-CA 3.47Å; K238-E250 PolarHBondContact N-O 2.92Å; K238-E250 PolarHBondContact O-N 3.42Å
239	E	98.6	Very high	98.2	Very high	75 Å²	75	59 Å²	59	35%	0.35	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	106.1	166.9	-167.7	-175.2	-143.3	0	0	108.8	R242 S247 Y249	E239-R242 WeakPolarHBondContact OE1-CD 3.46Å; E239-R242 IonicContact OE1-CZ 3.81Å; E239-R242 IonicContact OE1-NH1 3.81Å; E239-R242 PolarHBondContact OE1-NH1 2.9Å; E239-S247 WeakPolarHBondContact OE1-CB 3.26Å; E239-S247 PolarHBondContact OE1-OG 2.86Å; E239-Y249 HydrophobicContact CB-CD1 4.02Å; E239-Y249 HydrophobicContact CB-CE1 3.72Å; E239-Y249 HydrophobicContact CG-CE1 4.15Å
240	I	98.6	Very high	98.2	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-10.1	-177.7	59.1	158.5	0	0	0	112.5	K238 V248 E250 Y286 F335 L339 L443 K444 W445	K238-I240 HydrophobicContact CB-CG2 4.23Å; K238-I240 HydrophobicContact CD-CG2 3.95Å; K238-I240 HydrophobicContact CG-CG2 3.91Å; K238-I240 PolarHBondContact O-N 3.09Å; K238-I240 VanDerWaalsContact O-N 3.11Å; I240-V248 PolarHBondContact N-O 2.84Å; I240-E250 HydrophobicContact CD1-CB 4Å; I240-E250 HydrophobicContact CG1-CB 4.14Å; I240-E250 HydrophobicContact CG2-CB 3.8Å; I240-Y286 HydrophobicContact CD1-CD1 3.83Å; I240-Y286 HydrophobicContact CD1-CE1 3.73Å; I240-F335 HydrophobicContact CD1-CE1 3.86Å; I240-F335 HydrophobicContact CD1-CZ 3.71Å; I240-F335 HydrophobicContact CG1-CZ 4.15Å; I240-L339 HydrophobicContact CD1-CD2 4.49Å; I240-L443 HydrophobicContact CD1-CD1 4.26Å; I240-K444 PolarHBondContact O-N 3.15Å; I240-W445 HydrophobicContact CD1-CG 4.35Å
241	Y	98.8	Very high	98.3	Very high	5 Å²	5	55 Å²	55	2%	0.02	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	134.7	176.7	178.6	-86.7	0	0	0	110.3	K243 I246 S247 V248 F331 F335 V438 D439 C442 L443	Y241-K243 HydrophobicContact CE1-CB 3.88Å; Y241-I246 HydrophobicContact CE1-CG2 4.28Å; Y241-S247 CarbonylContact O-C 3.57Å; Y241-S247 VanDerWaalsContact O-CA 3.23Å; Y241-S247 WeakPolarHBondContact O-CA 3.08Å; Y241-V248 HydrophobicContact CD1-CG2 4.16Å; Y241-V248 HydrophobicContact CG-CG2 4.44Å; Y241-V248 PolarHBondContact N-O 3.04Å; Y241-V248 PolarHBondContact O-N 2.78Å; Y241-F331 HydrophobicContact CD1-CZ 4.12Å; Y241-F331 HydrophobicContact CE1-CE2 4.14Å; Y241-F331 AromaticContact CE1-CZ 3.65Å; Y241-F331 HydrophobicContact CE1-CZ 3.65Å; Y241-F331 AromaticContact CZ-CZ 3.98Å; Y241-F335 AromaticContact CD2-CE2 3.84Å; Y241-F335 HydrophobicContact CD2-CE2 3.84Å; Y241-F335 AromaticContact CG-CE2 3.76Å; Y241-F335 HydrophobicContact CG-CE2 3.76Å; Y241-V438 HydrophobicContact CD2-CG1 4.45Å; Y241-V438 HydrophobicContact CE2-CG1 3.86Å; Y241-D439 VanDerWaalsContact CE2-O 3.3Å; Y241-D439 WeakPolarHBondContact CE2-O 3.42Å; Y241-D439 PolarHBondContact OH-N 3.4Å; Y241-C442 HydrophobicContact CD2-CB 3.98Å; Y241-C442 HydrophobicContact CE2-CB 3.68Å; Y241-L443 HydrophobicContact CD2-CB 4.16Å
242	R	98.3	Very high	98.3	Very high	106 Å²	106	49.3 Å²	49.3	40%	0.4	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	121.7	171.9	-178.4	59.5	171.2	-105.7	2.1	110.7	E239 S244 I246 S247 C442	E239-R242 WeakPolarHBondContact OE1-CD 3.46Å; E239-R242 IonicContact OE1-CZ 3.81Å; E239-R242 IonicContact OE1-NH1 3.81Å; E239-R242 PolarHBondContact OE1-NH1 2.9Å; R242-S244 PolarHBondContact NE-O 2.96Å; R242-I246 WeakPolarHBondContact CA-O 3.43Å; R242-S247 WeakPolarHBondContact CD-OG 3.29Å; R242-S247 PolarHBondContact NE-OG 2.84Å; R242-S247 PolarHBondContact NH1-OG 3.07Å; R242-C442 WeakPolarHBondContact O-CB 3.48Å
243	K	97.9	Very high	98.2	Very high	85 Å²	85	43.4 Å²	43.4	37%	0.37	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	116.9	169.5	-176.4	169.8	179.5	168.7	0	109.8	Y241 N245 I246 D439 C442	Y241-K243 HydrophobicContact CE1-CB 3.88Å; K243-N245 PolarHBondContact O-N 2.97Å; K243-I246 PolarHBondContact N-O 2.94Å; K243-I246 PolarHBondContact O-N 2.93Å; K243-D439 HydrophobicContact CD-CB 3.67Å; K243-D439 IonicContact NZ-OD2 2.79Å; K243-D439 PolarHBondContact NZ-OD2 3.23Å; K243-C442 HydrophobicContact CB-CB 4.32Å
244	S	96.4	Very high	98.1	Very high	104 Å²	104	45 Å²	45	73%	0.727	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	-124.7	-173.7	-169.8	0	0	0	0	110.9	R242	R242-S244 PolarHBondContact NE-O 2.96Å
245	N	97.4	Very high	98.1	Very high	67 Å²	67	46 Å²	46	36%	0.358	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.2	176.6	71.5	-41.6	0	0	0	113.9	K243 E290 V291	K243-N245 PolarHBondContact O-N 2.97Å; N245-E290 CarbonylContact O-C 3.5Å; N245-E290 WeakPolarHBondContact O-CA 3.48Å; N245-V291 WeakPolarHBondContact CB-O 3.22Å; N245-V291 PolarHBondContact O-N 2.8Å
246	I	98.4	Very high	98	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.062	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.3	179.2	-60.5	-64.5	0	0	0	110.4	Y241 R242 K243 L288 E290 Y328 F331	Y241-I246 HydrophobicContact CE1-CG2 4.28Å; R242-I246 WeakPolarHBondContact CA-O 3.43Å; K243-I246 PolarHBondContact N-O 2.94Å; K243-I246 PolarHBondContact O-N 2.93Å; I246-L288 HydrophobicContact CG2-CD1 3.59Å; I246-E290 HydrophobicContact CD1-CG 3.79Å; I246-Y328 HydrophobicContact CD1-CE1 4.05Å; I246-F331 HydrophobicContact CG2-CE1 4.24Å; I246-F331 HydrophobicContact CG2-CE2 4.31Å; I246-F331 HydrophobicContact CG2-CZ 3.91Å
247	S	98.7	Very high	97.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.5	178.2	-35	0	0	0	0	112.2	E239 Y241 R242 T289 V291	E239-S247 WeakPolarHBondContact OE1-CB 3.26Å; E239-S247 PolarHBondContact OE1-OG 2.86Å; Y241-S247 CarbonylContact O-C 3.57Å; Y241-S247 VanDerWaalsContact O-CA 3.23Å; Y241-S247 WeakPolarHBondContact O-CA 3.08Å; R242-S247 WeakPolarHBondContact CD-OG 3.29Å; R242-S247 PolarHBondContact NE-OG 2.84Å; R242-S247 PolarHBondContact NH1-OG 3.07Å; S247-T289 WeakPolarHBondContact CB-OG1 3.24Å; S247-T289 PolarHBondContact N-O 3.26Å; S247-T289 VanDerWaalsContact N-O 3.09Å; S247-T289 PolarHBondContact O-N 2.8Å; S247-T289 PolarHBondContact O-OG1 2.97Å; S247-T289 VanDerWaalsContact O-OG1 3.09Å; S247-V291 WeakPolarHBondContact OG-CG2 3.34Å
248	V	98.9	Very high	97.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.8	172.8	-172.4	0	0	0	0	110.3	I240 Y241 I287 L288 F331 F335	I240-V248 PolarHBondContact N-O 2.84Å; Y241-V248 HydrophobicContact CD1-CG2 4.16Å; Y241-V248 HydrophobicContact CG-CG2 4.44Å; Y241-V248 PolarHBondContact N-O 3.04Å; Y241-V248 PolarHBondContact O-N 2.78Å; V248-I287 VanDerWaalsContact CA-O 3.29Å; V248-I287 WeakPolarHBondContact CA-O 3.34Å; V248-L288 HydrophobicContact CG2-CD1 4.06Å; V248-F331 HydrophobicContact CG2-CE1 3.74Å; V248-F331 HydrophobicContact CG2-CZ 4.24Å; V248-F335 HydrophobicContact CB-CE1 4.31Å; V248-F335 HydrophobicContact CB-CE2 4.04Å; V248-F335 HydrophobicContact CB-CZ 3.83Å; V248-F335 HydrophobicContact CG1-CD1 4.3Å; V248-F335 HydrophobicContact CG1-CE1 3.77Å; V248-F335 HydrophobicContact CG1-CE2 4.37Å; V248-F335 HydrophobicContact CG1-CZ 3.79Å; V248-F335 HydrophobicContact CG2-CD2 4.05Å; V248-F335 HydrophobicContact CG2-CE2 3.82Å; V248-F335 HydrophobicContact CG2-CZ 4.09Å
249	Y	98.8	Very high	97.9	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.3	178	-64.6	-100.1	0	0	0	110.4	Q234 P235 K238 E239 Y286 I287 T289 A296	Q234-Y249 HydrophobicContact CB-CE1 4.15Å; Q234-Y249 HydrophobicContact CG-CE1 4.32Å; P235-Y249 HydrophobicContact CB-CD1 4.27Å; P235-Y249 HydrophobicContact CB-CD2 4.1Å; P235-Y249 HydrophobicContact CB-CG 3.82Å; P235-Y249 HydrophobicContact CG-CD2 3.7Å; P235-Y249 HydrophobicContact CG-CE2 4.18Å; P235-Y249 HydrophobicContact CG-CG 3.98Å; K238-Y249 CarbonylContact O-C 3.59Å; K238-Y249 VanDerWaalsContact O-CA 3.28Å; K238-Y249 WeakPolarHBondContact O-CA 3.47Å; E239-Y249 HydrophobicContact CB-CD1 4.02Å; E239-Y249 HydrophobicContact CB-CE1 3.72Å; E239-Y249 HydrophobicContact CG-CE1 4.15Å; Y249-Y286 CarbonylContact O-C 3.53Å; Y249-Y286 VanDerWaalsContact O-CA 3.31Å; Y249-Y286 WeakPolarHBondContact O-CA 3.32Å; Y249-I287 PolarHBondContact N-O 3.24Å; Y249-I287 PolarHBondContact O-N 3.1Å; Y249-T289 HydrophobicContact CD2-CG2 4.14Å; Y249-T289 HydrophobicContact CE2-CG2 4.11Å; Y249-T289 WeakPolarHBondContact CE2-OG1 3.42Å; Y249-A296 HydrophobicContact CE2-CB 4.16Å
250	E	98.8	Very high	97.8	Very high	42 Å²	42	47.3 Å²	47.3	20%	0.196	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.3	168.8	-178.7	-179.9	-126.3	0	0	109.2	G237 K238 I240 V284 Y286 W445	G237-E250 WeakPolarHBondContact CA-O 3.4Å; K238-E250 PolarHBondContact N-O 2.92Å; K238-E250 PolarHBondContact O-N 3.42Å; I240-E250 HydrophobicContact CD1-CB 4Å; I240-E250 HydrophobicContact CG1-CB 4.14Å; I240-E250 HydrophobicContact CG2-CB 3.8Å; E250-V284 HydrophobicContact CG-CG1 3.64Å; E250-Y286 HydrophobicContact CB-CD1 4.41Å; E250-Y286 HydrophobicContact CB-CE1 4.21Å; E250-Y286 HydrophobicContact CG-CE1 4.02Å; E250-Y286 PolarHBondContact OE1-OH 3.49Å; E250-W445 PolarHBondContact OE1-NE1 3.31Å
251	V	98.7	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.2	-175.5	-173.6	0	0	0	0	109.1	P236 H256 Y259 F285 I287	P236-V251 HydrophobicContact CG-CG1 4.02Å; P236-V251 HydrophobicContact CG-CG2 4.45Å; P236-V251 VanDerWaalsContact O-CG2 3.3Å; P236-V251 WeakPolarHBondContact O-CG2 3.39Å; V251-H256 HydrophobicContact CG1-CB 3.68Å; V251-Y259 HydrophobicContact CG1-CD1 4.14Å; V251-F285 HydrophobicContact CB-CB 4.32Å; V251-F285 PolarHBondContact N-O 3.27Å; V251-F285 PolarHBondContact O-N 3.2Å; V251-I287 HydrophobicContact CG2-CG1 3.82Å
252	D	98.4	Very high	97.6	Very high	43 Å²	43	49.4 Å²	49.4	23%	0.23	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.9	174.4	-168.9	-56.9	0	0	0	110.2	K254 D255 H256 K306	D252-K254 VanDerWaalsContact C-N 3.25Å; D252-K254 PolarHBondContact O-N 2.99Å; D252-K254 WeakPolarHBondContact OD1-CA 3.42Å; D252-K254 WeakPolarHBondContact OD1-CB 3.14Å; D252-K254 PolarHBondContact OD1-N 3.15Å; D252-D255 HydrophobicContact CB-CB 4.15Å; D252-D255 PolarHBondContact O-N 2.79Å; D252-H256 PolarHBondContact O-N 3.29Å; D252-K306 IonicContact OD1-NZ 2.74Å; D252-K306 PolarHBondContact OD1-NZ 3.26Å; D252-K306 WeakPolarHBondContact OD2-CE 3.43Å; D252-K306 IonicContact OD2-NZ 2.7Å; D252-K306 PolarHBondContact OD2-NZ 3.49Å
253	G	96.2	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.9	-179.4	0	0	0	0	0	114.5	K257 V280 F283	G253-K257 WeakPolarHBondContact O-CA 3.33Å; G253-K257 PolarHBondContact O-N 2.82Å; G253-V280 WeakPolarHBondContact CA-O 3.37Å; G253-V280 WeakPolarHBondContact O-CG2 3.41Å; G253-F283 PolarHBondContact N-O 2.64Å
254	K	95.8	Very high	97.5	Very high	137 Å²	137	40.5 Å²	40.5	60%	0.596	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-44	172.8	-172.4	-178.8	179	178.5	0	111.1	D252 E281	D252-K254 VanDerWaalsContact C-N 3.25Å; D252-K254 PolarHBondContact O-N 2.99Å; D252-K254 WeakPolarHBondContact OD1-CA 3.42Å; D252-K254 WeakPolarHBondContact OD1-CB 3.14Å; D252-K254 PolarHBondContact OD1-N 3.15Å; K254-E281 HydrophobicContact CB-CB 4.33Å; K254-E281 HydrophobicContact CB-CG 4.48Å
255	D	97.8	Very high	97.4	Very high	115 Å²	115	35.7 Å²	35.7	62%	0.615	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-32	-175.8	-61.3	-18.7	0	0	0	112.1	D252	D252-D255 HydrophobicContact CB-CB 4.15Å; D252-D255 PolarHBondContact O-N 2.79Å
256	H	98.1	Very high	97.3	Very high	60 Å²	60	32.5 Å²	32.5	28%	0.278	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	44.5	-175.4	-60.8	-59.7	0	0	0	113	P236 G237 V251 D252 I258 Y259 C260	P236-H256 HydrophobicContact CG-CB 4.18Å; G237-H256 PolarHBondContact N-NE2 2.8Å; V251-H256 HydrophobicContact CG1-CB 3.68Å; D252-H256 PolarHBondContact O-N 3.29Å; H256-I258 PolarHBondContact O-N 2.87Å; H256-Y259 PolarHBondContact O-N 2.91Å; H256-C260 PolarHBondContact O-N 3.03Å
257	K	96	Very high	97.2	Very high	84 Å²	84	32 Å²	32	37%	0.365	15%	0.153	S	C	.	.	H	α-helix	trans	-44.7	-52	-174.4	-170.2	166.9	-172.3	161.9	0	114.4	G253 Y259 C260 Q261 V280 E281	G253-K257 WeakPolarHBondContact O-CA 3.33Å; G253-K257 PolarHBondContact O-N 2.82Å; K257-Y259 PolarHBondContact O-N 2.94Å; K257-C260 PolarHBondContact O-N 3.16Å; K257-Q261 HydrophobicContact CG-CG 4.45Å; K257-Q261 WeakPolarHBondContact O-CB 3.23Å; K257-Q261 VanDerWaalsContact O-CG 3.24Å; K257-Q261 WeakPolarHBondContact O-CG 3.48Å; K257-Q261 PolarHBondContact O-N 3.41Å; K257-V280 HydrophobicContact CB-CG2 4.47Å; K257-V280 HydrophobicContact CG-CG2 3.97Å; K257-E281 IonicContact NZ-OE1 3.79Å; K257-E281 PolarHBondContact NZ-OE1 3.11Å
258	I	96.6	Very high	96.9	Very high	114 Å²	114	32.1 Å²	32.1	59%	0.585	15%	0.154	S	C	*	.	H	α-helix	trans	-63.7	-43.3	-177.5	-59.2	-58.8	0	0	0	112.1	H256 Q261 N262	H256-I258 PolarHBondContact O-N 2.87Å; I258-Q261 PolarHBondContact O-N 3.46Å; I258-N262 WeakPolarHBondContact O-CB 3.38Å; I258-N262 PolarHBondContact O-N 3.42Å; I258-N262 PolarHBondContact O-ND2 3.35Å; I258-N262 PolarHBondContact O-OD1 3.21Å
259	Y	98.5	Very high	96.6	Very high	17 Å²	17	32.1 Å²	32.1	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-44.9	178.2	178.2	-91.2	0	0	0	111	Y212 L214 P236 V251 H256 K257 N262 L263 I287	Y212-Y259 WeakPolarHBondContact O-CE2 3.2Å; L214-Y259 HydrophobicContact CB-CE2 4.41Å; L214-Y259 HydrophobicContact CD1-CD2 4.23Å; L214-Y259 HydrophobicContact CD1-CE1 4.13Å; L214-Y259 HydrophobicContact CD1-CE2 3.62Å; L214-Y259 HydrophobicContact CG-CD2 4.27Å; L214-Y259 HydrophobicContact CG-CE2 3.66Å; P236-Y259 VanDerWaalsContact CD-CE2 3.48Å; P236-Y259 HydrophobicContact CG-CD1 3.65Å; P236-Y259 HydrophobicContact CG-CD2 3.88Å; P236-Y259 HydrophobicContact CG-CE1 4.07Å; P236-Y259 HydrophobicContact CG-CE2 4.27Å; P236-Y259 HydrophobicContact CG-CG 3.54Å; V251-Y259 HydrophobicContact CG1-CD1 4.14Å; H256-Y259 PolarHBondContact O-N 2.91Å; K257-Y259 PolarHBondContact O-N 2.94Å; Y259-N262 PolarHBondContact O-N 2.71Å; Y259-L263 WeakPolarHBondContact O-CB 3.22Å; Y259-L263 PolarHBondContact O-N 3.2Å; Y259-I287 HydrophobicContact CE1-CD1 4.36Å; Y259-I287 HydrophobicContact CE1-CG1 4.22Å
260	C	97.9	Very high	96.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-37.5	179.2	-67.7	0	0	0	0	112.6	H256 K257 L263 C264 V280 F285	H256-C260 PolarHBondContact O-N 3.03Å; K257-C260 PolarHBondContact O-N 3.16Å; C260-L263 PolarHBondContact O-N 2.93Å; C260-C264 WeakPolarHBondContact O-CB 3.38Å; C260-C264 PolarHBondContact O-N 3.03Å; C260-C264 PolarHBondContact O-SG 2.84Å; C260-C264 VanDerWaalsContact O-SG 3.34Å; C260-V280 HydrophobicContact CB-CB 3.92Å; C260-V280 HydrophobicContact CB-CG1 4.18Å; C260-V280 HydrophobicContact CB-CG2 3.83Å; C260-F285 HydrophobicContact CB-CD2 4.04Å; C260-F285 HydrophobicContact CB-CE2 3.64Å; C260-F285 HydrophobicContact CB-CZ 3.97Å; C260-F285 WeakPolarHBondContact SG-CD2 3.43Å
261	Q	94.9	Very high	95.8	Very high	36 Å²	36	31.6 Å²	31.6	17%	0.168	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-45.5	172.9	-73.4	177.6	-20.2	0	0	111.5	K257 I258 L263 C264 L265 F278 V280	K257-Q261 HydrophobicContact CG-CG 4.45Å; K257-Q261 WeakPolarHBondContact O-CB 3.23Å; K257-Q261 VanDerWaalsContact O-CG 3.24Å; K257-Q261 WeakPolarHBondContact O-CG 3.48Å; K257-Q261 PolarHBondContact O-N 3.41Å; I258-Q261 PolarHBondContact O-N 3.46Å; Q261-L263 VanDerWaalsContact C-N 3.32Å; Q261-L263 PolarHBondContact O-N 2.78Å; Q261-C264 PolarHBondContact O-N 2.78Å; Q261-L265 WeakPolarHBondContact O-CG 3.31Å; Q261-L265 PolarHBondContact O-N 3.28Å; Q261-F278 PolarHBondContact NE2-O 3.3Å; Q261-V280 HydrophobicContact CG-CG1 3.97Å; Q261-V280 HydrophobicContact CG-CG2 4.13Å
262	N	97.8	Very high	95	Very high	14 Å²	14	34.5 Å²	34.5	8%	0.075	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-42.9	175.1	-68.5	-13.7	0	0	0	111.7	L214 Y216 I258 Y259 L265 L266	L214-N262 HydrophobicContact CB-CB 3.68Å; L214-N262 WeakPolarHBondContact O-CB 3.34Å; Y216-N262 WeakPolarHBondContact CE1-OD1 3.37Å; I258-N262 WeakPolarHBondContact O-CB 3.38Å; I258-N262 PolarHBondContact O-N 3.42Å; I258-N262 PolarHBondContact O-ND2 3.35Å; I258-N262 PolarHBondContact O-OD1 3.21Å; Y259-N262 PolarHBondContact O-N 2.71Å; N262-L265 PolarHBondContact O-N 2.69Å; N262-L266 WeakPolarHBondContact O-CB 3.45Å; N262-L266 PolarHBondContact O-N 3.05Å
263	L	98.3	Very high	94	Very high	3 Å²	3	38 Å²	38	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-42.5	175	-179.9	61.9	0	0	0	111.8	L214 Y259 C260 Q261 L266 A267 F285 I287 I298 Y301	L214-L263 HydrophobicContact CD1-CB 3.66Å; L214-L263 HydrophobicContact CD1-CD1 3.82Å; L214-L263 HydrophobicContact CD1-CG 4.29Å; Y259-L263 WeakPolarHBondContact O-CB 3.22Å; Y259-L263 PolarHBondContact O-N 3.2Å; C260-L263 PolarHBondContact O-N 2.93Å; Q261-L263 VanDerWaalsContact C-N 3.32Å; Q261-L263 PolarHBondContact O-N 2.78Å; L263-L266 PolarHBondContact O-N 3.32Å; L263-A267 VanDerWaalsContact O-CB 3.25Å; L263-A267 WeakPolarHBondContact O-CB 3.31Å; L263-A267 PolarHBondContact O-N 3.23Å; L263-F285 HydrophobicContact CD2-CB 4.41Å; L263-F285 HydrophobicContact CD2-CD1 3.78Å; L263-F285 HydrophobicContact CD2-CE1 4.48Å; L263-F285 HydrophobicContact CD2-CG 4.37Å; L263-I287 HydrophobicContact CD2-CD1 3.33Å; L263-I298 HydrophobicContact CD1-CD1 3.83Å; L263-Y301 HydrophobicContact CD1-CD1 3.82Å; L263-Y301 HydrophobicContact CD1-CE1 4.05Å; L263-Y301 HydrophobicContact CD1-CG 4.22Å; L263-Y301 HydrophobicContact CD2-CD1 4.24Å; L263-Y301 HydrophobicContact CD2-CD2 3.77Å; L263-Y301 HydrophobicContact CD2-CE2 4.09Å; L263-Y301 HydrophobicContact CD2-CG 3.86Å; L263-Y301 HydrophobicContact CG-CD1 4.18Å; L263-Y301 HydrophobicContact CG-CD2 4.4Å; L263-Y301 HydrophobicContact CG-CE1 4.15Å; L263-Y301 HydrophobicContact CG-CE2 4.38Å; L263-Y301 HydrophobicContact CG-CG 4.31Å
264	C	94.8	Very high	93.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-41.8	177.5	-78.8	0	0	0	0	112.6	C260 Q261 A267 K268 K274	C260-C264 WeakPolarHBondContact O-CB 3.38Å; C260-C264 PolarHBondContact O-N 3.03Å; C260-C264 PolarHBondContact O-SG 2.84Å; C260-C264 VanDerWaalsContact O-SG 3.34Å; Q261-C264 PolarHBondContact O-N 2.78Å; C264-A267 PolarHBondContact O-N 2.9Å; C264-K268 WeakPolarHBondContact O-CB 3.45Å; C264-K268 PolarHBondContact O-N 3.36Å; C264-K274 WeakPolarHBondContact SG-CE 3.23Å; C264-K274 PolarHBondContact SG-NZ 3.5Å; C264-K274 VanDerWaalsContact SG-NZ 3.37Å
265	L	94.1	Very high	92.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-43.3	175	-70.7	170.6	0	0	0	111.5	S195 P196 F197 Y216 Q261 N262 A267 K268 F278	S195-L265 WeakPolarHBondContact CB-O 3.35Å; S195-L265 PolarHBondContact OG-O 2.91Å; P196-L265 HydrophobicContact CG-CD2 4.02Å; P196-L265 WeakPolarHBondContact O-CD2 3.43Å; F197-L265 HydrophobicContact CD1-CB 4.17Å; F197-L265 HydrophobicContact CD1-CD1 4.01Å; F197-L265 HydrophobicContact CE1-CB 3.65Å; F197-L265 HydrophobicContact CE1-CD1 4.15Å; F197-L265 HydrophobicContact CE1-CG 4.45Å; F197-L265 HydrophobicContact CE2-CB 4.37Å; F197-L265 HydrophobicContact CZ-CB 3.76Å; Y216-L265 HydrophobicContact CE1-CD1 3.77Å; Q261-L265 WeakPolarHBondContact O-CG 3.31Å; Q261-L265 PolarHBondContact O-N 3.28Å; N262-L265 PolarHBondContact O-N 2.69Å; L265-A267 VanDerWaalsContact C-N 3.35Å; L265-K268 PolarHBondContact O-N 3.29Å; L265-F278 HydrophobicContact CD2-CE1 4.46Å
266	L	96.6	Very high	91.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-46.1	172.1	171.8	58.4	0	0	0	111.2	I182 I184 L209 L214 N262 L263 K268 L269 F270 L320	I182-L266 HydrophobicContact CD1-CD1 3.34Å; I184-L266 HydrophobicContact CD1-CD2 4.13Å; L209-L266 HydrophobicContact CD2-CB 4.22Å; L209-L266 HydrophobicContact CD2-CD1 3.88Å; L209-L266 HydrophobicContact CD2-CD2 4.31Å; L209-L266 HydrophobicContact CD2-CG 4.36Å; L214-L266 HydrophobicContact CD2-CD2 4.14Å; N262-L266 WeakPolarHBondContact O-CB 3.45Å; N262-L266 PolarHBondContact O-N 3.05Å; L263-L266 PolarHBondContact O-N 3.32Å; L266-K268 VanDerWaalsContact C-N 3.34Å; L266-K268 PolarHBondContact O-N 3.5Å; L266-L269 HydrophobicContact CD1-CD1 4.35Å; L266-L269 WeakPolarHBondContact O-CB 3.34Å; L266-L269 PolarHBondContact O-N 3.48Å; L266-F270 HydrophobicContact CD1-CE2 3.85Å; L266-F270 WeakPolarHBondContact O-CD2 3.47Å; L266-L320 HydrophobicContact CD1-CD2 4.4Å; L266-L320 HydrophobicContact CD2-CD2 4.28Å; L266-L320 HydrophobicContact CG-CD2 4.34Å
267	A	95.6	Very high	90	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-36.9	-177.7	0	0	0	0	0	112.7	L263 C264 L265 L269 F270 L271 K274 Y301 L318	L263-A267 VanDerWaalsContact O-CB 3.25Å; L263-A267 WeakPolarHBondContact O-CB 3.31Å; L263-A267 PolarHBondContact O-N 3.23Å; C264-A267 PolarHBondContact O-N 2.9Å; L265-A267 VanDerWaalsContact C-N 3.35Å; A267-L269 PolarHBondContact O-N 3.09Å; A267-F270 CarbonylContact O-C 3.53Å; A267-F270 PolarHBondContact O-N 3.14Å; A267-L271 HydrophobicContact CB-CD1 4.16Å; A267-L271 WeakPolarHBondContact O-CG 3.44Å; A267-L271 PolarHBondContact O-N 2.77Å; A267-K274 HydrophobicContact CB-CD 4.23Å; A267-Y301 HydrophobicContact CB-CE1 3.6Å; A267-Y301 WeakPolarHBondContact CB-OH 3.5Å; A267-L318 HydrophobicContact CB-CD2 3.87Å
268	K	91.8	Very high	89	Confident	3 Å²	3	35.2 Å²	35.2	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-24.4	179.2	-178.5	66.2	-172.6	77.2	0	112.8	F194 C264 L265 L266 F270 L271 D272 K274	F194-K268 WeakPolarHBondContact O-CG 3.35Å; F194-K268 PolarHBondContact O-NZ 3.41Å; C264-K268 WeakPolarHBondContact O-CB 3.45Å; C264-K268 PolarHBondContact O-N 3.36Å; L265-K268 PolarHBondContact O-N 3.29Å; L266-K268 VanDerWaalsContact C-N 3.34Å; L266-K268 PolarHBondContact O-N 3.5Å; K268-F270 PolarHBondContact O-N 3.29Å; K268-F270 VanDerWaalsContact O-N 3.17Å; K268-L271 WeakPolarHBondContact CD-O 3.42Å; K268-L271 PolarHBondContact NZ-O 2.69Å; K268-L271 VanDerWaalsContact O-O 3.13Å; K268-D272 WeakPolarHBondContact CE-O 3.3Å; K268-D272 PolarHBondContact NZ-O 2.97Å; K268-D272 VanDerWaalsContact NZ-O 3.08Å; K268-K274 HydrophobicContact CB-CD 4.47Å; K268-K274 HydrophobicContact CD-CB 3.77Å; K268-K274 HydrophobicContact CD-CG 4.4Å; K268-K274 WeakPolarHBondContact CD-O 3.3Å; K268-K274 VanDerWaalsContact CE-O 3.3Å; K268-K274 WeakPolarHBondContact CE-O 3.39Å
269	L	92.9	Very high	88.4	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.1	171.4	-64.6	169.5	0	0	0	113.1	V179 I182 A191 W192 Y193 S195 F197 L266 A267	V179-L269 HydrophobicContact CB-CD2 4.37Å; V179-L269 HydrophobicContact CG1-CD2 4.45Å; I182-L269 HydrophobicContact CD1-CD1 4.26Å; I182-L269 HydrophobicContact CG2-CD1 3.56Å; A191-L269 HydrophobicContact CB-CB 3.95Å; A191-L269 HydrophobicContact CB-CD1 4.49Å; A191-L269 HydrophobicContact CB-CD2 3.65Å; A191-L269 HydrophobicContact CB-CG 4.24Å; W192-L269 PolarHBondContact N-O 3.18Å; Y193-L269 PolarHBondContact N-O 3.44Å; S195-L269 VanDerWaalsContact CB-CD2 3.46Å; F197-L269 HydrophobicContact CE2-CD1 3.91Å; F197-L269 HydrophobicContact CE2-CD2 3.96Å; F197-L269 HydrophobicContact CE2-CG 3.99Å; F197-L269 HydrophobicContact CZ-CD1 4.18Å; L266-L269 HydrophobicContact CD1-CD1 4.35Å; L266-L269 WeakPolarHBondContact O-CB 3.34Å; L266-L269 PolarHBondContact O-N 3.48Å; A267-L269 PolarHBondContact O-N 3.09Å
270	F	93.1	Very high	88.1	Confident	7 Å²	7	33.2 Å²	33.2	3%	0.031	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	0.9	-174.8	-49.6	-66	0	0	0	113.4	I182 I189 W192 L266 A267 K268 L318 L320 P321	I182-F270 HydrophobicContact CD1-CE2 4.18Å; I182-F270 HydrophobicContact CD1-CZ 3.93Å; I189-F270 HydrophobicContact CB-CZ 4.44Å; I189-F270 HydrophobicContact CG2-CE1 3.71Å; I189-F270 HydrophobicContact CG2-CZ 3.66Å; W192-F270 HydrophobicContact CD2-CD1 4.06Å; W192-F270 HydrophobicContact CE3-CB 4.26Å; W192-F270 HydrophobicContact CE3-CD1 4.46Å; W192-F270 HydrophobicContact CG-CD1 4.14Å; L266-F270 HydrophobicContact CD1-CE2 3.85Å; L266-F270 WeakPolarHBondContact O-CD2 3.47Å; A267-F270 CarbonylContact O-C 3.53Å; A267-F270 PolarHBondContact O-N 3.14Å; K268-F270 PolarHBondContact O-N 3.29Å; K268-F270 VanDerWaalsContact O-N 3.17Å; F270-L318 HydrophobicContact CB-CD1 3.75Å; F270-L318 HydrophobicContact CB-CD2 4.25Å; F270-L318 HydrophobicContact CD2-CD2 4.01Å; F270-L320 HydrophobicContact CD2-CD2 4.34Å; F270-L320 HydrophobicContact CE2-CD2 4.04Å; F270-P321 HydrophobicContact CD1-CG 3.69Å; F270-P321 HydrophobicContact CE1-CG 3.57Å; F270-P321 HydrophobicContact CG-CG 4.28Å; F270-P321 HydrophobicContact CZ-CG 4.07Å
271	L	88.7	Confident	87.8	Confident	27 Å²	27	36.7 Å²	36.7	14%	0.141	18%	0.182	C	C	.	.			trans	-126.3	119.4	179.1	-64.3	176.6	0	0	0	109.5	A267 K268 K274 C316 L318	A267-L271 HydrophobicContact CB-CD1 4.16Å; A267-L271 WeakPolarHBondContact O-CG 3.44Å; A267-L271 PolarHBondContact O-N 2.77Å; K268-L271 WeakPolarHBondContact CD-O 3.42Å; K268-L271 PolarHBondContact NZ-O 2.69Å; K268-L271 VanDerWaalsContact O-O 3.13Å; L271-K274 HydrophobicContact CB-CB 4.04Å; L271-K274 HydrophobicContact CD1-CD 4.21Å; L271-C316 HydrophobicContact CD1-CB 4.23Å; L271-L318 HydrophobicContact CD2-CD1 4.41Å
272	D	81.6	Confident	87.7	Confident	60 Å²	60	37.6 Å²	37.6	32%	0.321	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-56.9	-177.3	-155.7	0.4	0	0	0	111.1	Y193 K268 K274	Y193-D272 HydrophobicContact CD1-CB 3.91Å; Y193-D272 WeakPolarHBondContact CD1-OD1 3.29Å; Y193-D272 HydrophobicContact CD2-CB 4.44Å; Y193-D272 HydrophobicContact CE1-CB 3.58Å; Y193-D272 HydrophobicContact CE2-CB 4.15Å; Y193-D272 HydrophobicContact CG-CB 4.33Å; K268-D272 WeakPolarHBondContact CE-O 3.3Å; K268-D272 PolarHBondContact NZ-O 2.97Å; K268-D272 VanDerWaalsContact NZ-O 3.08Å; D272-K274 VanDerWaalsContact C-N 3.32Å; D272-K274 PolarHBondContact O-N 3.36Å
273	H	76.9	Confident	87.6	Confident	117 Å²	117	37.9 Å²	37.9	54%	0.542	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	23.9	-171	-52.5	-62.5	0	0	0	115	T275	H273-T275 PolarHBondContact O-N 3.23Å
274	K	82.6	Confident	87.6	Confident	13 Å²	13	38.7 Å²	38.7	6%	0.057	20%	0.197	C	C	.	.			trans	-81.4	111.3	175.8	178.5	170.8	179.8	53.6	0	110.1	C264 A267 K268 L271 D272 L276	C264-K274 WeakPolarHBondContact SG-CE 3.23Å; C264-K274 PolarHBondContact SG-NZ 3.5Å; C264-K274 VanDerWaalsContact SG-NZ 3.37Å; A267-K274 HydrophobicContact CB-CD 4.23Å; K268-K274 HydrophobicContact CB-CD 4.47Å; K268-K274 HydrophobicContact CD-CB 3.77Å; K268-K274 HydrophobicContact CD-CG 4.4Å; K268-K274 WeakPolarHBondContact CD-O 3.3Å; K268-K274 VanDerWaalsContact CE-O 3.3Å; K268-K274 WeakPolarHBondContact CE-O 3.39Å; L271-K274 HydrophobicContact CB-CB 4.04Å; L271-K274 HydrophobicContact CD1-CD 4.21Å; D272-K274 VanDerWaalsContact C-N 3.32Å; D272-K274 PolarHBondContact O-N 3.36Å; K274-L276 WeakPolarHBondContact CE-O 3.45Å; K274-L276 PolarHBondContact NZ-O 2.84Å
275	T	71.1	Confident	87.8	Confident	93 Å²	93	38.7 Å²	38.7	57%	0.571	20%	0.197	S	C	*	.			trans	-99.3	-30.3	-175.4	54	0	0	0	0	113.5	H273 Y277	H273-T275 PolarHBondContact O-N 3.23Å; T275-Y277 WeakPolarHBondContact O-CD1 3.31Å; T275-Y277 WeakPolarHBondContact O-CE1 3.47Å
276	L	74.9	Confident	88	Confident	80 Å²	80	38.9 Å²	38.9	42%	0.419	20%	0.198	S	C	.	.			trans	-100.8	116.1	-179.4	-63	176.8	0	0	0	111.6	K274 F283	K274-L276 WeakPolarHBondContact CE-O 3.45Å; K274-L276 PolarHBondContact NZ-O 2.84Å; L276-F283 HydrophobicContact CD1-CE2 3.89Å; L276-F283 HydrophobicContact CD1-CZ 3.81Å
277	Y	75.9	Confident	88.1	Confident	54 Å²	54	38.8 Å²	38.8	21%	0.212	20%	0.197	C	C	.	.	S	Bend	trans	-134	-23	179.9	42.4	-94.1	0	0	0	115.1	P196 T275	P196-Y277 HydrophobicContact CB-CE2 4.1Å; P196-Y277 HydrophobicContact CG-CD1 4.01Å; P196-Y277 HydrophobicContact CG-CD2 3.66Å; P196-Y277 HydrophobicContact CG-CE1 3.75Å; P196-Y277 HydrophobicContact CG-CE2 3.35Å; P196-Y277 HydrophobicContact CG-CG 3.99Å; P196-Y277 VanDerWaalsContact CG-CZ 3.42Å; T275-Y277 WeakPolarHBondContact O-CD1 3.31Å; T275-Y277 WeakPolarHBondContact O-CE1 3.47Å
278	F	75.4	Confident	88.3	Confident	98 Å²	98	38.8 Å²	38.8	43%	0.43	20%	0.197	S	C	.	.	S	Bend	trans	-100.4	-35.6	174.6	-63	-50.3	0	0	0	113.8	Q261 L265 V280	Q261-F278 PolarHBondContact NE2-O 3.3Å; L265-F278 HydrophobicContact CD2-CE1 4.46Å; F278-V280 PolarHBondContact O-N 2.91Å
279	D	83.9	Confident	88.6	Confident	87 Å²	87	38.7 Å²	38.7	47%	0.465	20%	0.197	S	C	.	.			trans	-85	87.6	174.4	-170.6	18	0	0	0	110.4	P282	D279-P282 WeakPolarHBondContact OD1-CD 3.36Å
280	V	90.6	Very high	88.9	Confident	2 Å²	2	41 Å²	41	1%	0.012	21%	0.207	C	C	.	.			trans	-104.6	-10	-174.5	-59.2	0	0	0	0	112.8	G253 K257 C260 Q261 F278 P282 F283 F285	G253-V280 WeakPolarHBondContact CA-O 3.37Å; G253-V280 WeakPolarHBondContact O-CG2 3.41Å; K257-V280 HydrophobicContact CB-CG2 4.47Å; K257-V280 HydrophobicContact CG-CG2 3.97Å; C260-V280 HydrophobicContact CB-CB 3.92Å; C260-V280 HydrophobicContact CB-CG1 4.18Å; C260-V280 HydrophobicContact CB-CG2 3.83Å; Q261-V280 HydrophobicContact CG-CG1 3.97Å; Q261-V280 HydrophobicContact CG-CG2 4.13Å; F278-V280 PolarHBondContact O-N 2.91Å; V280-P282 VanDerWaalsContact C-CD 3.46Å; V280-F283 PolarHBondContact O-N 3.3Å; V280-F283 VanDerWaalsContact O-N 3.08Å; V280-F285 HydrophobicContact CB-CE2 4.14Å; V280-F285 HydrophobicContact CB-CZ 4.09Å; V280-F285 HydrophobicContact CG1-CZ 4.24Å
281	E	92.2	Very high	89.1	Confident	72 Å²	72	42 Å²	42	34%	0.336	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-33.3	-175	-55.8	-173.9	-166.8	0	0	114.3	K254 K257 F283 K306	K254-E281 HydrophobicContact CB-CB 4.33Å; K254-E281 HydrophobicContact CB-CG 4.48Å; K257-E281 IonicContact NZ-OE1 3.79Å; K257-E281 PolarHBondContact NZ-OE1 3.11Å; E281-F283 PolarHBondContact O-N 3.44Å; E281-K306 WeakPolarHBondContact O-CE 3.43Å; E281-K306 PolarHBondContact O-NZ 3.26Å
282	P	93.8	Very high	89.5	Confident	56 Å²	56	44.6 Å²	44.6	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-8.3	174.3	-22.7	35.4	0	0	0	114.7	D279 V280 K306	D279-P282 WeakPolarHBondContact OD1-CD 3.36Å; V280-P282 VanDerWaalsContact C-CD 3.46Å; P282-K306 WeakPolarHBondContact O-CB 3.45Å; P282-K306 WeakPolarHBondContact O-CG 3.13Å; P282-K306 PolarHBondContact O-N 3.32Å
283	F	95.6	Very high	90.3	Very high	20 Å²	20	53.7 Å²	53.7	9%	0.088	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150.2	-170.3	-61.7	-88.2	0	0	0	113.2	G253 L276 V280 E281 F285 K304 E305 A315	G253-F283 PolarHBondContact N-O 2.64Å; L276-F283 HydrophobicContact CD1-CE2 3.89Å; L276-F283 HydrophobicContact CD1-CZ 3.81Å; V280-F283 PolarHBondContact O-N 3.3Å; V280-F283 VanDerWaalsContact O-N 3.08Å; E281-F283 PolarHBondContact O-N 3.44Å; F283-F285 HydrophobicContact CB-CD2 4.35Å; F283-F285 HydrophobicContact CB-CE2 3.65Å; F283-F285 HydrophobicContact CB-CZ 3.89Å; F283-K304 WeakPolarHBondContact CA-O 3.29Å; F283-E305 HydrophobicContact CD1-CG 4.03Å; F283-E305 HydrophobicContact CE1-CG 3.51Å; F283-E305 HydrophobicContact CZ-CG 4.23Å; F283-A315 HydrophobicContact CD1-CB 4.36Å; F283-A315 HydrophobicContact CE1-CB 3.93Å
284	V	97.9	Very high	91.2	Very high	19 Å²	19	53.7 Å²	53.7	12%	0.115	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.1	161.7	-176.1	0	0	0	0	107.9	E250 Y286 S303 K304 K306	E250-V284 HydrophobicContact CG-CG1 3.64Å; V284-Y286 HydrophobicContact CB-CE2 4.27Å; V284-Y286 HydrophobicContact CG1-CE2 3.9Å; V284-S303 CarbonylContact O-C 3.58Å; V284-S303 WeakPolarHBondContact O-CA 3.41Å; V284-K304 PolarHBondContact N-O 3.03Å; V284-K304 PolarHBondContact O-N 2.75Å; V284-K306 HydrophobicContact CG2-CD 4.46Å; V284-K306 HydrophobicContact CG2-CG 3.74Å
285	F	98.7	Very high	91.9	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.2	-178	-60	-102.4	0	0	0	109.9	V251 C260 L263 V280 F283 I287 Y301	V251-F285 HydrophobicContact CB-CB 4.32Å; V251-F285 PolarHBondContact N-O 3.27Å; V251-F285 PolarHBondContact O-N 3.2Å; C260-F285 HydrophobicContact CB-CD2 4.04Å; C260-F285 HydrophobicContact CB-CE2 3.64Å; C260-F285 HydrophobicContact CB-CZ 3.97Å; C260-F285 WeakPolarHBondContact SG-CD2 3.43Å; L263-F285 HydrophobicContact CD2-CB 4.41Å; L263-F285 HydrophobicContact CD2-CD1 3.78Å; L263-F285 HydrophobicContact CD2-CE1 4.48Å; L263-F285 HydrophobicContact CD2-CG 4.37Å; V280-F285 HydrophobicContact CB-CE2 4.14Å; V280-F285 HydrophobicContact CB-CZ 4.09Å; V280-F285 HydrophobicContact CG1-CZ 4.24Å; F283-F285 HydrophobicContact CB-CD2 4.35Å; F283-F285 HydrophobicContact CB-CE2 3.65Å; F283-F285 HydrophobicContact CB-CZ 3.89Å; F285-I287 HydrophobicContact CB-CD1 3.78Å; F285-Y301 AromaticContact CD1-CD2 3.89Å; F285-Y301 HydrophobicContact CD1-CD2 3.89Å; F285-Y301 AromaticContact CD1-CE2 3.72Å; F285-Y301 HydrophobicContact CD1-CE2 3.72Å; F285-Y301 HydrophobicContact CE1-CE2 4.12Å
286	Y	98.8	Very high	93.2	Very high	6 Å²	6	49.3 Å²	49.3	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	101.2	178.3	-65.1	-88.1	0	0	0	108.9	I240 Y249 E250 V284 Y301 F302 K304 F335 L339	I240-Y286 HydrophobicContact CD1-CD1 3.83Å; I240-Y286 HydrophobicContact CD1-CE1 3.73Å; Y249-Y286 CarbonylContact O-C 3.53Å; Y249-Y286 VanDerWaalsContact O-CA 3.31Å; Y249-Y286 WeakPolarHBondContact O-CA 3.32Å; E250-Y286 HydrophobicContact CB-CD1 4.41Å; E250-Y286 HydrophobicContact CB-CE1 4.21Å; E250-Y286 HydrophobicContact CG-CE1 4.02Å; E250-Y286 PolarHBondContact OE1-OH 3.49Å; V284-Y286 HydrophobicContact CB-CE2 4.27Å; V284-Y286 HydrophobicContact CG1-CE2 3.9Å; Y286-Y301 WeakPolarHBondContact O-CA 3.38Å; Y286-Y301 WeakPolarHBondContact O-CB 3.16Å; Y286-F302 VanDerWaalsContact CB-CE1 3.47Å; Y286-F302 HydrophobicContact CD1-CZ 4.2Å; Y286-F302 AromaticContact CD2-CD2 3.84Å; Y286-F302 HydrophobicContact CD2-CD2 3.84Å; Y286-F302 HydrophobicContact CD2-CE1 4.24Å; Y286-F302 AromaticContact CD2-CE2 3.18Å; Y286-F302 HydrophobicContact CD2-CE2 3.18Å; Y286-F302 AromaticContact CD2-CZ 3.41Å; Y286-F302 HydrophobicContact CD2-CZ 3.41Å; Y286-F302 VanDerWaalsContact CD2-CZ 3.41Å; Y286-F302 AromaticContact CE2-CE2 3.8Å; Y286-F302 HydrophobicContact CE2-CE2 3.8Å; Y286-F302 HydrophobicContact CE2-CZ 4.16Å; Y286-F302 HydrophobicContact CG-CD2 4.46Å; Y286-F302 AromaticContact CG-CE1 3.95Å; Y286-F302 HydrophobicContact CG-CE1 3.95Å; Y286-F302 AromaticContact CG-CE2 3.74Å; Y286-F302 HydrophobicContact CG-CE2 3.74Å; Y286-F302 AromaticContact CG-CZ 3.43Å; Y286-F302 HydrophobicContact CG-CZ 3.43Å; Y286-F302 VanDerWaalsContact CG-CZ 3.43Å; Y286-F302 PolarHBondContact N-O 3.37Å; Y286-F302 PolarHBondContact O-N 3.26Å; Y286-F302 VanDerWaalsContact O-N 3.13Å; Y286-K304 HydrophobicContact CE2-CB 4.09Å; Y286-K304 HydrophobicContact CE2-CD 4.38Å; Y286-F335 AromaticContact CD1-CE1 3.96Å; Y286-F335 HydrophobicContact CD1-CE1 3.96Å; Y286-L339 HydrophobicContact CD1-CD1 3.87Å; Y286-L339 HydrophobicContact CD2-CD1 4.29Å; Y286-L339 HydrophobicContact CE1-CD1 3.37Å; Y286-L339 HydrophobicContact CE1-CD2 4.33Å; Y286-L339 HydrophobicContact CE1-CG 4.49Å; Y286-L339 HydrophobicContact CE2-CD1 3.86Å; Y286-L339 HydrophobicContact CG-CD1 4.29Å
287	I	98.9	Very high	94.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.1	-171.3	-41.7	-54.5	0	0	0	109.5	P235 V248 Y249 V251 Y259 L263 F285 T289 I298 Y301	P235-I287 HydrophobicContact CB-CB 4.25Å; P235-I287 HydrophobicContact CB-CG1 4.33Å; P235-I287 HydrophobicContact CB-CG2 4.31Å; P235-I287 HydrophobicContact CG-CB 4.08Å; P235-I287 HydrophobicContact CG-CG2 3.76Å; V248-I287 VanDerWaalsContact CA-O 3.29Å; V248-I287 WeakPolarHBondContact CA-O 3.34Å; Y249-I287 PolarHBondContact N-O 3.24Å; Y249-I287 PolarHBondContact O-N 3.1Å; V251-I287 HydrophobicContact CG2-CG1 3.82Å; Y259-I287 HydrophobicContact CE1-CD1 4.36Å; Y259-I287 HydrophobicContact CE1-CG1 4.22Å; L263-I287 HydrophobicContact CD2-CD1 3.33Å; F285-I287 HydrophobicContact CB-CD1 3.78Å; I287-T289 HydrophobicContact CG2-CG2 4.39Å; I287-I298 HydrophobicContact CG2-CD1 3.83Å; I287-I298 HydrophobicContact CG2-CG1 3.91Å; I287-Y301 HydrophobicContact CD1-CG 4.38Å
288	L	98.8	Very high	95.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.2	174.7	174.6	65.3	0	0	0	110.4	I246 V248 V299 G300 Y328 F331 L332	I246-L288 HydrophobicContact CG2-CD1 3.59Å; V248-L288 HydrophobicContact CG2-CD1 4.06Å; L288-V299 HydrophobicContact CD2-CG1 4.2Å; L288-V299 HydrophobicContact CG-CB 4.31Å; L288-V299 PolarHBondContact O-N 2.97Å; L288-G300 PolarHBondContact N-O 3.3Å; L288-G300 PolarHBondContact O-N 3.36Å; L288-Y328 HydrophobicContact CD2-CD1 4Å; L288-Y328 HydrophobicContact CD2-CG 4.29Å; L288-F331 HydrophobicContact CD1-CD1 3.83Å; L288-F331 HydrophobicContact CD1-CE1 3.62Å; L288-F331 HydrophobicContact CD1-CZ 4.49Å; L288-F331 HydrophobicContact CD2-CD1 3.96Å; L288-L332 HydrophobicContact CB-CD2 3.66Å; L288-L332 HydrophobicContact CB-CG 4.44Å; L288-L332 HydrophobicContact CD2-CD1 4.37Å; L288-L332 HydrophobicContact CD2-CD2 4Å; L288-L332 HydrophobicContact CD2-CG 3.89Å; L288-L332 HydrophobicContact CG-CD2 4.47Å
289	T	98.8	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.8	-179.2	58.5	0	0	0	0	112.7	P235 S247 Y249 I287 A296 H297	P235-T289 HydrophobicContact CG-CG2 3.58Å; S247-T289 WeakPolarHBondContact CB-OG1 3.24Å; S247-T289 PolarHBondContact N-O 3.26Å; S247-T289 VanDerWaalsContact N-O 3.09Å; S247-T289 PolarHBondContact O-N 2.8Å; S247-T289 PolarHBondContact O-OG1 2.97Å; S247-T289 VanDerWaalsContact O-OG1 3.09Å; Y249-T289 HydrophobicContact CD2-CG2 4.14Å; Y249-T289 HydrophobicContact CE2-CG2 4.11Å; Y249-T289 WeakPolarHBondContact CE2-OG1 3.42Å; I287-T289 HydrophobicContact CG2-CG2 4.39Å; T289-A296 HydrophobicContact CG2-CB 4.05Å; T289-H297 CarbonylContact C-O 3.48Å; T289-H297 WeakPolarHBondContact CA-O 3.03Å; T289-H297 WeakPolarHBondContact CB-O 3.14Å
290	E	98.3	Very high	97.2	Very high	48 Å²	48	35.8 Å²	35.8	22%	0.224	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.2	160.2	-76	-164.9	145.8	0	0	109.3	N245 I246 A296 H297 V299 Y328	N245-E290 CarbonylContact O-C 3.5Å; N245-E290 WeakPolarHBondContact O-CA 3.48Å; I246-E290 HydrophobicContact CD1-CG 3.79Å; E290-A296 CarbonylContact O-C 3.47Å; E290-H297 PolarHBondContact N-O 3.32Å; E290-H297 PolarHBondContact O-CD2 3.14Å; E290-H297 PolarHBondContact O-N 3.24Å; E290-V299 HydrophobicContact CB-CG2 4.12Å; E290-V299 HydrophobicContact CG-CG2 3.74Å; E290-Y328 HydrophobicContact CG-CE1 4.2Å; E290-Y328 WeakPolarHBondContact OE1-CE1 3.38Å; E290-Y328 VanDerWaalsContact OE1-CZ 3.28Å; E290-Y328 PolarHBondContact OE1-OH 3.12Å
291	V	98.1	Very high	97.6	Very high	29 Å²	29	35.8 Å²	35.8	18%	0.176	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.5	-174.7	-171.1	0	0	0	0	110.5	N245 S247 G295 A296	N245-V291 WeakPolarHBondContact CB-O 3.22Å; N245-V291 PolarHBondContact O-N 2.8Å; S247-V291 WeakPolarHBondContact OG-CG2 3.34Å; V291-G295 VanDerWaalsContact CA-O 3.3Å; V291-G295 WeakPolarHBondContact CA-O 3.43Å; V291-A296 HydrophobicContact CG2-CB 3.79Å
292	D	97.3	Very high	97.9	Very high	81 Å²	81	32.3 Å²	32.3	43%	0.433	15%	0.154	S	C	.	.			trans	-117.8	-155.6	171.7	72.4	8.8	0	0	0	110.9	Q294 G295 H297	D292-Q294 VanDerWaalsContact C-N 3.31Å; D292-Q294 WeakPolarHBondContact OD1-CA 3.28Å; D292-Q294 VanDerWaalsContact OD1-CB 3.28Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.43Å; D292-Q294 PolarHBondContact OD1-N 3.4Å; D292-Q294 PolarHBondContact OD1-OE1 3.38Å; D292-Q294 VanDerWaalsContact OD1-OE1 3.09Å; D292-Q294 PolarHBondContact OD2-OE1 3.26Å; D292-G295 PolarHBondContact N-O 3.06Å; D292-G295 PolarHBondContact OD1-N 2.9Å; D292-H297 IonicContact OD1-CD2 3.85Å; D292-H297 IonicContact OD1-NE2 3.16Å; D292-H297 PolarHBondContact OD1-NE2 3.16Å; D292-H297 IonicContact OD2-CD2 3.77Å; D292-H297 IonicContact OD2-NE2 3.41Å; D292-H297 PolarHBondContact OD2-NE2 2.96Å; D292-H297 VanDerWaalsContact OD2-NE2 3.16Å
293	R	97.1	Very high	98.1	Very high	251 Å²	251	29.8 Å²	29.8	95%	0.947	14%	0.137	S	C	*	.	S	Bend	trans	-78.6	-19.3	179.5	-62.1	-179.7	-179.4	-177.4	-0.1	112.4
294	Q	96	Very high	98.1	Very high	118 Å²	118	29.3 Å²	29.3	55%	0.551	14%	0.135	S	C	*	.	S	Bend	trans	-90.6	-39.4	-174.9	-67.2	79.7	-21.5	0	0	110.3	R233 D292	R233-Q294 VanDerWaalsContact CD-O 3.32Å; R233-Q294 WeakPolarHBondContact CD-O 3.46Å; D292-Q294 VanDerWaalsContact C-N 3.31Å; D292-Q294 WeakPolarHBondContact OD1-CA 3.28Å; D292-Q294 VanDerWaalsContact OD1-CB 3.28Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.43Å; D292-Q294 PolarHBondContact OD1-N 3.4Å; D292-Q294 PolarHBondContact OD1-OE1 3.38Å; D292-Q294 VanDerWaalsContact OD1-OE1 3.09Å; D292-Q294 PolarHBondContact OD2-OE1 3.26Å
295	G	97.7	Very high	97.9	Very high	10 Å²	10	30.8 Å²	30.8	10%	0.103	14%	0.141	C	C	.	.			trans	170.4	-163.1	176.2	0	0	0	0	0	114.1	R233 V291 D292 H297	R233-G295 CarbonylContact O-C 3.57Å; R233-G295 VanDerWaalsContact O-CA 3.22Å; R233-G295 WeakPolarHBondContact O-CA 3.36Å; V291-G295 VanDerWaalsContact CA-O 3.3Å; V291-G295 WeakPolarHBondContact CA-O 3.43Å; D292-G295 PolarHBondContact N-O 3.06Å; D292-G295 PolarHBondContact OD1-N 2.9Å; G295-H297 PolarHBondContact O-CD2 3.16Å; G295-H297 PolarHBondContact O-NE2 3.48Å
296	A	98.6	Very high	97.6	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.1	174.3	0	0	0	0	0	109.8	R233 Q234 Y249 T289 E290 V291	R233-A296 PolarHBondContact O-N 3.13Å; Q234-A296 HydrophobicContact CB-CB 3.78Å; Y249-A296 HydrophobicContact CE2-CB 4.16Å; T289-A296 HydrophobicContact CG2-CB 4.05Å; E290-A296 CarbonylContact O-C 3.47Å; V291-A296 HydrophobicContact CG2-CB 3.79Å
297	H	98.5	Very high	97.1	Very high	26 Å²	26	40.3 Å²	40.3	12%	0.12	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.7	-175.6	-56.6	-82.9	0	0	0	110.6	E211 Y212 T289 E290 D292 G295 V299	E211-H297 IonicContact OE2-CE1 2.94Å; E211-H297 IonicContact OE2-CG 3.56Å; E211-H297 IonicContact OE2-ND1 3.73Å; E211-H297 PolarHBondContact OE2-ND1 3.4Å; Y212-H297 PolarHBondContact OH-CE1 3.49Å; Y212-H297 VanDerWaalsContact OH-CE1 3.25Å; T289-H297 CarbonylContact C-O 3.48Å; T289-H297 WeakPolarHBondContact CA-O 3.03Å; T289-H297 WeakPolarHBondContact CB-O 3.14Å; E290-H297 PolarHBondContact N-O 3.32Å; E290-H297 PolarHBondContact O-CD2 3.14Å; E290-H297 PolarHBondContact O-N 3.24Å; D292-H297 IonicContact OD1-CD2 3.85Å; D292-H297 IonicContact OD1-NE2 3.16Å; D292-H297 PolarHBondContact OD1-NE2 3.16Å; D292-H297 IonicContact OD2-CD2 3.77Å; D292-H297 IonicContact OD2-NE2 3.41Å; D292-H297 PolarHBondContact OD2-NE2 2.96Å; D292-H297 VanDerWaalsContact OD2-NE2 3.16Å; G295-H297 PolarHBondContact O-CD2 3.16Å; G295-H297 PolarHBondContact O-NE2 3.48Å; H297-V299 PolarHBondContact O-N 3.15Å
298	I	98.5	Very high	96.7	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	130.5	179.9	-172.6	168.9	0	0	0	111.7	I184 L214 L263 I287 L320	I184-I298 HydrophobicContact CD1-CG2 4.11Å; L214-I298 HydrophobicContact CD1-CD1 4.33Å; L214-I298 HydrophobicContact CD2-CD1 4.33Å; L214-I298 HydrophobicContact CD2-CG2 4.33Å; L263-I298 HydrophobicContact CD1-CD1 3.83Å; I287-I298 HydrophobicContact CG2-CD1 3.83Å; I287-I298 HydrophobicContact CG2-CG1 3.91Å; I298-L320 HydrophobicContact CG1-CD1 4.42Å; I298-L320 HydrophobicContact CG2-CD1 3.98Å
299	V	98.1	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-36.7	177.8	170	0	0	0	0	111.2	L288 E290 H297 T319 L320 Y323 Y328	L288-V299 HydrophobicContact CD2-CG1 4.2Å; L288-V299 HydrophobicContact CG-CB 4.31Å; L288-V299 PolarHBondContact O-N 2.97Å; E290-V299 HydrophobicContact CB-CG2 4.12Å; E290-V299 HydrophobicContact CG-CG2 3.74Å; H297-V299 PolarHBondContact O-N 3.15Å; V299-T319 HydrophobicContact CG1-CG2 4.47Å; V299-L320 PolarHBondContact O-N 3.11Å; V299-Y323 HydrophobicContact CB-CD2 4.41Å; V299-Y323 HydrophobicContact CB-CG 4.34Å; V299-Y323 HydrophobicContact CG1-CD1 4.17Å; V299-Y323 HydrophobicContact CG1-CD2 4.26Å; V299-Y323 HydrophobicContact CG1-CG 3.81Å; V299-Y323 HydrophobicContact CG2-CD1 4.04Å; V299-Y323 HydrophobicContact CG2-CD2 4.45Å; V299-Y323 HydrophobicContact CG2-CE1 3.99Å; V299-Y323 HydrophobicContact CG2-CE2 4.38Å; V299-Y323 HydrophobicContact CG2-CG 4.28Å; V299-Y328 HydrophobicContact CG1-CD1 3.71Å; V299-Y328 HydrophobicContact CG1-CD2 3.64Å; V299-Y328 HydrophobicContact CG1-CE1 4.12Å; V299-Y328 HydrophobicContact CG1-CE2 4.06Å; V299-Y328 HydrophobicContact CG1-CG 3.45Å; V299-Y328 VanDerWaalsContact CG1-CG 3.45Å
300	G	98.4	Very high	95.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	179.7	-178.2	0	0	0	0	0	111.3	L288 L318	L288-G300 PolarHBondContact N-O 3.3Å; L288-G300 PolarHBondContact O-N 3.36Å; G300-L318 CarbonylContact C-O 3.54Å; G300-L318 WeakPolarHBondContact CA-O 3.36Å
301	Y	98.8	Very high	95.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	167.7	175.7	82.9	-73	0	0	0	111	L263 A267 F285 Y286 I287 I317 L318	L263-Y301 HydrophobicContact CD1-CD1 3.82Å; L263-Y301 HydrophobicContact CD1-CE1 4.05Å; L263-Y301 HydrophobicContact CD1-CG 4.22Å; L263-Y301 HydrophobicContact CD2-CD1 4.24Å; L263-Y301 HydrophobicContact CD2-CD2 3.77Å; L263-Y301 HydrophobicContact CD2-CE2 4.09Å; L263-Y301 HydrophobicContact CD2-CG 3.86Å; L263-Y301 HydrophobicContact CG-CD1 4.18Å; L263-Y301 HydrophobicContact CG-CD2 4.4Å; L263-Y301 HydrophobicContact CG-CE1 4.15Å; L263-Y301 HydrophobicContact CG-CE2 4.38Å; L263-Y301 HydrophobicContact CG-CG 4.31Å; A267-Y301 HydrophobicContact CB-CE1 3.6Å; A267-Y301 WeakPolarHBondContact CB-OH 3.5Å; F285-Y301 AromaticContact CD1-CD2 3.89Å; F285-Y301 HydrophobicContact CD1-CD2 3.89Å; F285-Y301 AromaticContact CD1-CE2 3.72Å; F285-Y301 HydrophobicContact CD1-CE2 3.72Å; F285-Y301 HydrophobicContact CE1-CE2 4.12Å; Y286-Y301 WeakPolarHBondContact O-CA 3.38Å; Y286-Y301 WeakPolarHBondContact O-CB 3.16Å; I287-Y301 HydrophobicContact CD1-CG 4.38Å; Y301-I317 WeakPolarHBondContact O-CA 3.28Å; Y301-L318 HydrophobicContact CD1-CB 4.14Å; Y301-L318 HydrophobicContact CE1-CB 3.88Å; Y301-L318 HydrophobicContact CE1-CD2 4.26Å; Y301-L318 PolarHBondContact N-O 3.4Å; Y301-L318 PolarHBondContact O-N 2.94Å
302	F	98.7	Very high	95	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.8	153.4	69	-89.3	0	0	0	110.7	Y286 V314 C316 I317 L332 F335 L339	Y286-F302 VanDerWaalsContact CB-CE1 3.47Å; Y286-F302 HydrophobicContact CD1-CZ 4.2Å; Y286-F302 AromaticContact CD2-CD2 3.84Å; Y286-F302 HydrophobicContact CD2-CD2 3.84Å; Y286-F302 HydrophobicContact CD2-CE1 4.24Å; Y286-F302 AromaticContact CD2-CE2 3.18Å; Y286-F302 HydrophobicContact CD2-CE2 3.18Å; Y286-F302 AromaticContact CD2-CZ 3.41Å; Y286-F302 HydrophobicContact CD2-CZ 3.41Å; Y286-F302 VanDerWaalsContact CD2-CZ 3.41Å; Y286-F302 AromaticContact CE2-CE2 3.8Å; Y286-F302 HydrophobicContact CE2-CE2 3.8Å; Y286-F302 HydrophobicContact CE2-CZ 4.16Å; Y286-F302 HydrophobicContact CG-CD2 4.46Å; Y286-F302 AromaticContact CG-CE1 3.95Å; Y286-F302 HydrophobicContact CG-CE1 3.95Å; Y286-F302 AromaticContact CG-CE2 3.74Å; Y286-F302 HydrophobicContact CG-CE2 3.74Å; Y286-F302 AromaticContact CG-CZ 3.43Å; Y286-F302 HydrophobicContact CG-CZ 3.43Å; Y286-F302 VanDerWaalsContact CG-CZ 3.43Å; Y286-F302 PolarHBondContact N-O 3.37Å; Y286-F302 PolarHBondContact O-N 3.26Å; Y286-F302 VanDerWaalsContact O-N 3.13Å; F302-V314 HydrophobicContact CB-CG1 4.19Å; F302-V314 HydrophobicContact CD2-CG2 4Å; F302-V314 HydrophobicContact CG-CG2 4.41Å; F302-C316 CarbonylContact C-O 3.57Å; F302-C316 WeakPolarHBondContact CA-O 3.43Å; F302-C316 VanDerWaalsContact CB-O 3.26Å; F302-C316 WeakPolarHBondContact CB-O 3.25Å; F302-I317 HydrophobicContact CB-CB 4Å; F302-I317 HydrophobicContact CB-CD1 4.49Å; F302-I317 HydrophobicContact CB-CG1 4.05Å; F302-L332 HydrophobicContact CD1-CB 4.38Å; F302-L332 HydrophobicContact CD1-CD2 3.99Å; F302-F335 HydrophobicContact CE1-CB 4.39Å; F302-F335 AromaticContact CE1-CD1 3.84Å; F302-F335 HydrophobicContact CE1-CD1 3.84Å; F302-F335 AromaticContact CZ-CD1 3.96Å; F302-F335 HydrophobicContact CZ-CD1 3.96Å; F302-L339 HydrophobicContact CE2-CD1 4.3Å; F302-L339 HydrophobicContact CZ-CD1 3.81Å
303	S	98	Very high	94.9	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	151.9	169.8	55.9	0	0	0	0	110.4	V284 A315 C316	V284-S303 CarbonylContact O-C 3.58Å; V284-S303 WeakPolarHBondContact O-CA 3.41Å; S303-A315 PolarHBondContact O-N 3.08Å; S303-C316 PolarHBondContact N-O 3.45Å; S303-C316 WeakPolarHBondContact OG-CB 3.39Å; S303-C316 PolarHBondContact OG-N 2.99Å
304	K	97.1	Very high	95	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.2	177.3	-176.8	-178.8	178.1	-177.6	0	108.9	F283 V284 Y286 E343	F283-K304 WeakPolarHBondContact CA-O 3.29Å; V284-K304 PolarHBondContact N-O 3.03Å; V284-K304 PolarHBondContact O-N 2.75Å; Y286-K304 HydrophobicContact CE2-CB 4.09Å; Y286-K304 HydrophobicContact CE2-CD 4.38Å; K304-E343 IonicContact NZ-OE1 2.71Å; K304-E343 PolarHBondContact NZ-OE1 3.16Å; K304-E343 VanDerWaalsContact NZ-OE1 3.15Å; K304-E343 IonicContact NZ-OE2 3.19Å; K304-E343 PolarHBondContact NZ-OE2 3.18Å
305	E	93.9	Very high	94.8	Very high	49 Å²	49	32.9 Å²	32.9	23%	0.229	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.1	171.5	-61.6	176.6	107.2	0	0	109.9	F283 E307 S308	F283-E305 HydrophobicContact CD1-CG 4.03Å; F283-E305 HydrophobicContact CE1-CG 3.51Å; F283-E305 HydrophobicContact CZ-CG 4.23Å; E305-E307 PolarHBondContact O-N 3.15Å; E305-S308 VanDerWaalsContact OE2-CB 3.22Å; E305-S308 WeakPolarHBondContact OE2-CB 3.32Å; E305-S308 PolarHBondContact OE2-OG 3.3Å
306	K	92	Very high	94.7	Very high	61 Å²	61	33.7 Å²	33.7	27%	0.265	19%	0.191	S	C	.	.	S	Bend	trans	-60.2	-41.8	174.3	-72.2	171	179.5	175.7	0	110.7	D252 E281 P282 V284 K451	D252-K306 IonicContact OD1-NZ 2.74Å; D252-K306 PolarHBondContact OD1-NZ 3.26Å; D252-K306 WeakPolarHBondContact OD2-CE 3.43Å; D252-K306 IonicContact OD2-NZ 2.7Å; D252-K306 PolarHBondContact OD2-NZ 3.49Å; E281-K306 WeakPolarHBondContact O-CE 3.43Å; E281-K306 PolarHBondContact O-NZ 3.26Å; P282-K306 WeakPolarHBondContact O-CB 3.45Å; P282-K306 WeakPolarHBondContact O-CG 3.13Å; P282-K306 PolarHBondContact O-N 3.32Å; V284-K306 HydrophobicContact CG2-CD 4.46Å; V284-K306 HydrophobicContact CG2-CG 3.74Å; K306-K451 WeakPolarHBondContact O-CE 3.35Å
307	E	88.6	Confident	94.6	Very high	147 Å²	147	35.1 Å²	35.1	69%	0.687	20%	0.199	S	C	*	.	S	Bend	trans	-127.2	114.5	172.7	-56.4	-159.8	159.2	0	0	108.7	E305	E305-E307 PolarHBondContact O-N 3.15Å
308	S	90.4	Very high	94.6	Very high	28 Å²	28	34.4 Å²	34.4	20%	0.196	20%	0.196	C	C	.	.			trans	-112.8	111.3	177.1	-168.7	0	0	0	0	109	E305 D310 G311 N312	E305-S308 VanDerWaalsContact OE2-CB 3.22Å; E305-S308 WeakPolarHBondContact OE2-CB 3.32Å; E305-S308 PolarHBondContact OE2-OG 3.3Å; S308-D310 PolarHBondContact O-N 2.99Å; S308-G311 PolarHBondContact O-N 3.42Å; S308-G311 VanDerWaalsContact O-N 3.11Å; S308-N312 WeakPolarHBondContact OG-CB 3.35Å; S308-N312 PolarHBondContact OG-N 3.3Å; S308-N312 VanDerWaalsContact OG-N 3.08Å
309	P	84.9	Confident	94.6	Very high	124 Å²	124	34.9 Å²	34.9	81%	0.805	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-37.1	179.1	-25	34.6	0	0	0	112.8	G311	P309-G311 VanDerWaalsContact C-N 3.27Å; P309-G311 PolarHBondContact O-N 2.86Å
310	D	86.3	Confident	94.5	Very high	137 Å²	137	35.1 Å²	35.1	73%	0.733	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.6	-179.3	-59.7	-52.3	0	0	0	113.2	S308 N312	S308-D310 PolarHBondContact O-N 2.99Å; D310-N312 VanDerWaalsContact C-N 3.34Å
311	G	90.8	Very high	94.4	Very high	35 Å²	35	36.5 Å²	36.5	36%	0.361	21%	0.208	S	C	.	.			trans	70.3	29.3	-177.6	0	0	0	0	0	113.3	S308 P309 N313 G347	S308-G311 PolarHBondContact O-N 3.42Å; S308-G311 VanDerWaalsContact O-N 3.11Å; P309-G311 VanDerWaalsContact C-N 3.27Å; P309-G311 PolarHBondContact O-N 2.86Å; G311-N313 PolarHBondContact O-N 2.99Å; G311-G347 WeakPolarHBondContact O-CA 3.4Å
312	N	94.4	Very high	94.3	Very high	24 Å²	24	37.6 Å²	37.6	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.8	176.4	-62.7	-42.7	0	0	0	109.9	S308 D310 S348 E350	S308-N312 WeakPolarHBondContact OG-CB 3.35Å; S308-N312 PolarHBondContact OG-N 3.3Å; S308-N312 VanDerWaalsContact OG-N 3.08Å; D310-N312 VanDerWaalsContact C-N 3.34Å; N312-S348 CarbonylContact C-O 3.55Å; N312-S348 WeakPolarHBondContact CA-O 3.31Å; N312-E350 HydrophobicContact CB-CB 4.44Å
313	N	97	Very high	94.2	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-9.2	175.9	69.2	-8.1	0	0	0	113.1	G311 S340 S348	G311-N313 PolarHBondContact O-N 2.99Å; N313-S340 VanDerWaalsContact CB-OG 3.31Å; N313-S340 WeakPolarHBondContact CB-OG 3.37Å; N313-S340 PolarHBondContact ND2-OG 3.38Å; N313-S340 VanDerWaalsContact ND2-OG 3.15Å; N313-S348 PolarHBondContact N-O 3.24Å; N313-S348 PolarHBondContact OD1-O 3.37Å
314	V	97.8	Very high	94	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130	175.3	173.7	0	0	0	0	108.4	F302 I317 S336 P349 E350 Y361	F302-V314 HydrophobicContact CB-CG1 4.19Å; F302-V314 HydrophobicContact CD2-CG2 4Å; F302-V314 HydrophobicContact CG-CG2 4.41Å; V314-I317 HydrophobicContact CG1-CB 3.96Å; V314-I317 HydrophobicContact CG1-CG2 4.29Å; V314-S336 VanDerWaalsContact CG2-CB 3.44Å; V314-S336 WeakPolarHBondContact CG2-OG 3.47Å; V314-P349 HydrophobicContact CB-CB 4.36Å; V314-E350 WeakPolarHBondContact O-CB 3.48Å; V314-E350 PolarHBondContact O-N 3.47Å; V314-Y361 WeakPolarHBondContact CG2-OH 3.42Å
315	A	93.1	Very high	93.7	Very high	16 Å²	16	51.9 Å²	51.9	13%	0.132	27%	0.271	C	S	.	.	S	Bend	trans	-94.3	-60	171.4	0	0	0	0	0	110.7	F283 S303 E350	F283-A315 HydrophobicContact CD1-CB 4.36Å; F283-A315 HydrophobicContact CE1-CB 3.93Å; S303-A315 PolarHBondContact O-N 3.08Å; A315-E350 VanDerWaalsContact CA-OE2 3.23Å; A315-E350 WeakPolarHBondContact CA-OE2 3.33Å; A315-E350 VanDerWaalsContact CB-OE2 3.31Å; A315-E350 WeakPolarHBondContact CB-OE2 3.26Å
316	C	95	Very high	93.6	Very high	27 Å²	27	55.9 Å²	55.9	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.6	172.4	-66.6	0	0	0	0	110.1	L271 F302 S303	L271-C316 HydrophobicContact CD1-CB 4.23Å; F302-C316 CarbonylContact C-O 3.57Å; F302-C316 WeakPolarHBondContact CA-O 3.43Å; F302-C316 VanDerWaalsContact CB-O 3.26Å; F302-C316 WeakPolarHBondContact CB-O 3.25Å; S303-C316 PolarHBondContact N-O 3.45Å; S303-C316 WeakPolarHBondContact OG-CB 3.39Å; S303-C316 PolarHBondContact OG-N 2.99Å
317	I	97.4	Very high	93.6	Very high	34 Å²	34	53.6 Å²	53.6	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.8	173.7	-175.7	169.3	0	0	0	109.8	Y301 F302 V314 L332 I333 Y361	Y301-I317 WeakPolarHBondContact O-CA 3.28Å; F302-I317 HydrophobicContact CB-CB 4Å; F302-I317 HydrophobicContact CB-CD1 4.49Å; F302-I317 HydrophobicContact CB-CG1 4.05Å; V314-I317 HydrophobicContact CG1-CB 3.96Å; V314-I317 HydrophobicContact CG1-CG2 4.29Å; I317-L332 HydrophobicContact CD1-CB 3.7Å; I317-L332 HydrophobicContact CG1-CB 4.25Å; I317-L332 HydrophobicContact CG1-CD1 4.26Å; I317-I333 HydrophobicContact CD1-CG1 3.7Å; I317-Y361 HydrophobicContact CG2-CE2 4.33Å
318	L	97.1	Very high	94	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.058	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135.3	-179.5	179.2	65.4	0	0	0	110.8	A267 F270 L271 G300 Y301 L320	A267-L318 HydrophobicContact CB-CD2 3.87Å; F270-L318 HydrophobicContact CB-CD1 3.75Å; F270-L318 HydrophobicContact CB-CD2 4.25Å; F270-L318 HydrophobicContact CD2-CD2 4.01Å; L271-L318 HydrophobicContact CD2-CD1 4.41Å; G300-L318 CarbonylContact C-O 3.54Å; G300-L318 WeakPolarHBondContact CA-O 3.36Å; Y301-L318 HydrophobicContact CD1-CB 4.14Å; Y301-L318 HydrophobicContact CE1-CB 3.88Å; Y301-L318 HydrophobicContact CE1-CD2 4.26Å; Y301-L318 PolarHBondContact N-O 3.4Å; Y301-L318 PolarHBondContact O-N 2.94Å; L318-L320 HydrophobicContact CD2-CD2 4.32Å
319	T	97.9	Very high	94.3	Very high	17 Å²	17	47 Å²	47	10%	0.104	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.9	159	-57.5	0	0	0	0	107.5	V299 Q324 Y328	V299-T319 HydrophobicContact CG1-CG2 4.47Å; T319-Q324 HydrophobicContact CG2-CG 4.2Å; T319-Q324 WeakPolarHBondContact O-CG 3.48Å; T319-Q324 PolarHBondContact O-NE2 2.58Å; T319-Y328 HydrophobicContact CG2-CD2 4.49Å
320	L	97.4	Very high	94.8	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.031	22%	0.219	C	C	.	.			trans	-59.8	142.9	-179	-70.5	176	0	0	0	110.2	L266 F270 I298 V299 L318 P322 Y323 Q324	L266-L320 HydrophobicContact CD1-CD2 4.4Å; L266-L320 HydrophobicContact CD2-CD2 4.28Å; L266-L320 HydrophobicContact CG-CD2 4.34Å; F270-L320 HydrophobicContact CD2-CD2 4.34Å; F270-L320 HydrophobicContact CE2-CD2 4.04Å; I298-L320 HydrophobicContact CG1-CD1 4.42Å; I298-L320 HydrophobicContact CG2-CD1 3.98Å; V299-L320 PolarHBondContact O-N 3.11Å; L318-L320 HydrophobicContact CD2-CD2 4.32Å; L320-P322 VanDerWaalsContact C-CD 3.43Å; L320-P322 VanDerWaalsContact O-N 3.15Å; L320-Y323 HydrophobicContact CB-CD2 4Å; L320-Y323 PolarHBondContact O-N 2.76Å; L320-Q324 PolarHBondContact O-N 2.83Å
321	P	96.1	Very high	95.3	Very high	29 Å²	29	36.6 Å²	36.6	19%	0.188	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-49.5	-43.1	-169.9	-29.3	35.8	0	0	0	116.2	I189 W192 F270 Y323 Q324	I189-P321 HydrophobicContact CG2-CB 3.92Å; I189-P321 HydrophobicContact CG2-CG 3.66Å; W192-P321 HydrophobicContact CZ2-CB 4.26Å; W192-P321 HydrophobicContact CZ2-CG 4.05Å; F270-P321 HydrophobicContact CD1-CG 3.69Å; F270-P321 HydrophobicContact CE1-CG 3.57Å; F270-P321 HydrophobicContact CG-CG 4.28Å; F270-P321 HydrophobicContact CZ-CG 4.07Å; P321-Y323 PolarHBondContact O-N 3.35Å; P321-Y323 VanDerWaalsContact O-N 3.1Å; P321-Q324 PolarHBondContact O-N 3.29Å; P321-Q324 VanDerWaalsContact O-N 3.16Å
322	P	96.6	Very high	95.7	Very high	26 Å²	26	35 Å²	35	17%	0.169	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-60.3	-25.1	179.4	-24.7	35.4	0	0	0	114.3	Y187 I189 L320 R326	Y187-P322 HydrophobicContact CD1-CB 3.84Å; Y187-P322 HydrophobicContact CD1-CG 3.84Å; Y187-P322 HydrophobicContact CD2-CB 4.4Å; Y187-P322 HydrophobicContact CD2-CG 4.28Å; Y187-P322 HydrophobicContact CE1-CB 3.8Å; Y187-P322 HydrophobicContact CE1-CG 4.33Å; Y187-P322 HydrophobicContact CE2-CB 4.35Å; Y187-P322 HydrophobicContact CG-CB 4.15Å; Y187-P322 HydrophobicContact CG-CG 3.82Å; I189-P322 HydrophobicContact CD1-CG 3.68Å; I189-P322 HydrophobicContact CG1-CG 3.89Å; L320-P322 VanDerWaalsContact C-CD 3.43Å; L320-P322 VanDerWaalsContact O-N 3.15Å; P322-R326 PolarHBondContact O-NE 3.24Å; P322-R326 PolarHBondContact O-NH2 3.23Å
323	Y	96.5	Very high	95.8	Very high	21 Å²	21	34 Å²	34	8%	0.082	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-101.2	-1.8	-176.3	-55.4	-80.8	0	0	0	113.3	Y187 V299 L320 P321 Y328	Y187-Y323 HydrophobicContact CE2-CE2 4.33Å; Y187-Y323 AromaticContact CE2-CZ 3.89Å; Y187-Y323 WeakPolarHBondContact CE2-OH 3.45Å; V299-Y323 HydrophobicContact CB-CD2 4.41Å; V299-Y323 HydrophobicContact CB-CG 4.34Å; V299-Y323 HydrophobicContact CG1-CD1 4.17Å; V299-Y323 HydrophobicContact CG1-CD2 4.26Å; V299-Y323 HydrophobicContact CG1-CG 3.81Å; V299-Y323 HydrophobicContact CG2-CD1 4.04Å; V299-Y323 HydrophobicContact CG2-CD2 4.45Å; V299-Y323 HydrophobicContact CG2-CE1 3.99Å; V299-Y323 HydrophobicContact CG2-CE2 4.38Å; V299-Y323 HydrophobicContact CG2-CG 4.28Å; L320-Y323 HydrophobicContact CB-CD2 4Å; L320-Y323 PolarHBondContact O-N 2.76Å; P321-Y323 PolarHBondContact O-N 3.35Å; P321-Y323 VanDerWaalsContact O-N 3.1Å; Y323-Y328 HydrophobicContact CD1-CE2 4.15Å; Y323-Y328 HydrophobicContact CG-CE2 4.48Å; Y323-Y328 VanDerWaalsContact O-CD2 3.27Å; Y323-Y328 WeakPolarHBondContact O-CD2 3.28Å
324	Q	93.7	Very high	95.9	Very high	44 Å²	44	34.4 Å²	34.4	21%	0.206	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	154.8	179.2	-69.9	178.7	5.8	0	0	112.1	T319 L320 P321 R326	T319-Q324 HydrophobicContact CG2-CG 4.2Å; T319-Q324 WeakPolarHBondContact O-CG 3.48Å; T319-Q324 PolarHBondContact O-NE2 2.58Å; L320-Q324 PolarHBondContact O-N 2.83Å; P321-Q324 PolarHBondContact O-N 3.29Å; P321-Q324 VanDerWaalsContact O-N 3.16Å; Q324-R326 PolarHBondContact O-N 2.98Å; Q324-R326 VanDerWaalsContact O-N 3.15Å
325	R	90.2	Very high	95.9	Very high	247 Å²	247	34.3 Å²	34.3	93%	0.932	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	13.8	-178.7	-53.9	-177.9	177.6	-176.6	-0.9	115.7
326	R	92.4	Very high	96.2	Very high	133 Å²	133	33.6 Å²	33.6	50%	0.502	16%	0.16	S	C	.	.	S	Bend	trans	-103.2	4.9	176.5	-58.6	-178.9	-167.4	-162.3	3.7	114.7	P322 Q324 Y328	P322-R326 PolarHBondContact O-NE 3.24Å; P322-R326 PolarHBondContact O-NH2 3.23Å; Q324-R326 PolarHBondContact O-N 2.98Å; Q324-R326 VanDerWaalsContact O-N 3.15Å; R326-Y328 HydrophobicContact CB-CD2 3.9Å; R326-Y328 HydrophobicContact CB-CE2 3.54Å; R326-Y328 HydrophobicContact CG-CE2 4.41Å
327	G	92.8	Very high	96.4	Very high	14 Å²	14	32.3 Å²	32.3	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	101.8	-15.9	177	0	0	0	0	0	115.5	G329 K330 F331	G327-G329 VanDerWaalsContact C-N 3.3Å; G327-G329 PolarHBondContact O-N 3.31Å; G327-K330 PolarHBondContact O-N 3Å; G327-K330 VanDerWaalsContact O-N 3.09Å; G327-F331 PolarHBondContact O-N 2.92Å
328	Y	96.8	Very high	96.4	Very high	16 Å²	16	32.2 Å²	32.2	6%	0.063	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-34.6	-179.2	-52.5	-74.6	0	0	0	114	I246 L288 E290 V299 T319 Y323 R326 K330 F331 L332 I436	I246-Y328 HydrophobicContact CD1-CE1 4.05Å; L288-Y328 HydrophobicContact CD2-CD1 4Å; L288-Y328 HydrophobicContact CD2-CG 4.29Å; E290-Y328 HydrophobicContact CG-CE1 4.2Å; E290-Y328 WeakPolarHBondContact OE1-CE1 3.38Å; E290-Y328 VanDerWaalsContact OE1-CZ 3.28Å; E290-Y328 PolarHBondContact OE1-OH 3.12Å; V299-Y328 HydrophobicContact CG1-CD1 3.71Å; V299-Y328 HydrophobicContact CG1-CD2 3.64Å; V299-Y328 HydrophobicContact CG1-CE1 4.12Å; V299-Y328 HydrophobicContact CG1-CE2 4.06Å; V299-Y328 HydrophobicContact CG1-CG 3.45Å; V299-Y328 VanDerWaalsContact CG1-CG 3.45Å; T319-Y328 HydrophobicContact CG2-CD2 4.49Å; Y323-Y328 HydrophobicContact CD1-CE2 4.15Å; Y323-Y328 HydrophobicContact CG-CE2 4.48Å; Y323-Y328 VanDerWaalsContact O-CD2 3.27Å; Y323-Y328 WeakPolarHBondContact O-CD2 3.28Å; R326-Y328 HydrophobicContact CB-CD2 3.9Å; R326-Y328 HydrophobicContact CB-CE2 3.54Å; R326-Y328 HydrophobicContact CG-CE2 4.41Å; Y328-K330 PolarHBondContact O-N 2.86Å; Y328-F331 WeakPolarHBondContact O-CB 3.47Å; Y328-F331 PolarHBondContact O-N 3.15Å; Y328-F331 VanDerWaalsContact O-N 3.15Å; Y328-L332 WeakPolarHBondContact O-CG 3.19Å; Y328-L332 PolarHBondContact O-N 2.84Å; Y328-I436 HydrophobicContact CD1-CD1 3.76Å; Y328-I436 HydrophobicContact CE1-CD1 3.6Å
329	G	95.6	Very high	96.4	Very high	19 Å²	19	31.8 Å²	31.8	20%	0.196	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-43.6	174.7	0	0	0	0	0	112.4	G327 F331 L332 I333	G327-G329 VanDerWaalsContact C-N 3.3Å; G327-G329 PolarHBondContact O-N 3.31Å; G329-F331 VanDerWaalsContact C-N 3.32Å; G329-F331 PolarHBondContact O-N 2.53Å; G329-L332 PolarHBondContact O-N 2.88Å; G329-I333 VanDerWaalsContact O-CG1 3.3Å; G329-I333 WeakPolarHBondContact O-CG1 3.22Å; G329-I333 PolarHBondContact O-N 3.47Å; G329-I333 VanDerWaalsContact O-N 3.11Å
330	K	94.9	Very high	96.4	Very high	43 Å²	43	31 Å²	31	19%	0.187	14%	0.142	C	C	.	.	H	α-helix	trans	-66.1	-36.2	173.9	-73.2	-169.8	179.2	-174.7	0	111.7	G327 Y328 I333 A334 S363 P434	G327-K330 PolarHBondContact O-N 3Å; G327-K330 VanDerWaalsContact O-N 3.09Å; Y328-K330 PolarHBondContact O-N 2.86Å; K330-I333 PolarHBondContact O-N 3.38Å; K330-A334 WeakPolarHBondContact O-CB 3.37Å; K330-A334 PolarHBondContact O-N 3.38Å; K330-S363 WeakPolarHBondContact CE-OG 3.35Å; K330-S363 PolarHBondContact NZ-OG 3.04Å; K330-P434 HydrophobicContact CD-CB 4.26Å; K330-P434 HydrophobicContact CD-CG 3.93Å
331	F	97.7	Very high	96.4	Very high	1 Å²	1	34 Å²	34	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-47.2	174.9	179.8	-85	0	0	0	111.9	Y241 I246 V248 L288 G327 Y328 G329 I333 A334 F335 I436 V438	Y241-F331 HydrophobicContact CD1-CZ 4.12Å; Y241-F331 HydrophobicContact CE1-CE2 4.14Å; Y241-F331 AromaticContact CE1-CZ 3.65Å; Y241-F331 HydrophobicContact CE1-CZ 3.65Å; Y241-F331 AromaticContact CZ-CZ 3.98Å; I246-F331 HydrophobicContact CG2-CE1 4.24Å; I246-F331 HydrophobicContact CG2-CE2 4.31Å; I246-F331 HydrophobicContact CG2-CZ 3.91Å; V248-F331 HydrophobicContact CG2-CE1 3.74Å; V248-F331 HydrophobicContact CG2-CZ 4.24Å; L288-F331 HydrophobicContact CD1-CD1 3.83Å; L288-F331 HydrophobicContact CD1-CE1 3.62Å; L288-F331 HydrophobicContact CD1-CZ 4.49Å; L288-F331 HydrophobicContact CD2-CD1 3.96Å; G327-F331 PolarHBondContact O-N 2.92Å; Y328-F331 WeakPolarHBondContact O-CB 3.47Å; Y328-F331 PolarHBondContact O-N 3.15Å; Y328-F331 VanDerWaalsContact O-N 3.15Å; G329-F331 VanDerWaalsContact C-N 3.32Å; G329-F331 PolarHBondContact O-N 2.53Å; F331-I333 VanDerWaalsContact C-N 3.34Å; F331-I333 PolarHBondContact O-N 3.16Å; F331-A334 PolarHBondContact O-N 3.4Å; F331-F335 HydrophobicContact CE1-CB 4.5Å; F331-F335 HydrophobicContact CE1-CD2 4.19Å; F331-F335 HydrophobicContact CZ-CD2 4.26Å; F331-F335 WeakPolarHBondContact O-CB 3.49Å; F331-F335 PolarHBondContact O-N 3.06Å; F331-I436 HydrophobicContact CB-CG2 4.5Å; F331-I436 HydrophobicContact CD2-CB 4.43Å; F331-I436 HydrophobicContact CD2-CG2 3.58Å; F331-I436 HydrophobicContact CE2-CG2 4.13Å; F331-I436 HydrophobicContact CG-CG2 4.27Å; F331-V438 HydrophobicContact CD2-CG2 3.73Å; F331-V438 HydrophobicContact CE1-CG2 4.43Å; F331-V438 HydrophobicContact CE2-CB 4.29Å; F331-V438 HydrophobicContact CE2-CG2 3.58Å; F331-V438 HydrophobicContact CG-CG2 4.27Å; F331-V438 HydrophobicContact CZ-CG2 3.95Å
332	L	98.5	Very high	96.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-43	177.2	-73.1	167.2	0	0	0	111.8	L288 F302 I317 Y328 G329 F335 S336	L288-L332 HydrophobicContact CB-CD2 3.66Å; L288-L332 HydrophobicContact CB-CG 4.44Å; L288-L332 HydrophobicContact CD2-CD1 4.37Å; L288-L332 HydrophobicContact CD2-CD2 4Å; L288-L332 HydrophobicContact CD2-CG 3.89Å; L288-L332 HydrophobicContact CG-CD2 4.47Å; F302-L332 HydrophobicContact CD1-CB 4.38Å; F302-L332 HydrophobicContact CD1-CD2 3.99Å; I317-L332 HydrophobicContact CD1-CB 3.7Å; I317-L332 HydrophobicContact CG1-CB 4.25Å; I317-L332 HydrophobicContact CG1-CD1 4.26Å; Y328-L332 WeakPolarHBondContact O-CG 3.19Å; Y328-L332 PolarHBondContact O-N 2.84Å; G329-L332 PolarHBondContact O-N 2.88Å; L332-F335 PolarHBondContact O-N 3.16Å; L332-S336 PolarHBondContact O-N 2.93Å
333	I	98.2	Very high	96.4	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-48	174.8	-65.1	167.8	0	0	0	110.7	I317 G329 K330 F331 F335 S336 Y337 Y361 Y364	I317-I333 HydrophobicContact CD1-CG1 3.7Å; G329-I333 VanDerWaalsContact O-CG1 3.3Å; G329-I333 WeakPolarHBondContact O-CG1 3.22Å; G329-I333 PolarHBondContact O-N 3.47Å; G329-I333 VanDerWaalsContact O-N 3.11Å; K330-I333 PolarHBondContact O-N 3.38Å; F331-I333 VanDerWaalsContact C-N 3.34Å; F331-I333 PolarHBondContact O-N 3.16Å; I333-F335 VanDerWaalsContact C-N 3.27Å; I333-F335 PolarHBondContact O-N 3.42Å; I333-S336 PolarHBondContact O-N 3.05Å; I333-S336 PolarHBondContact O-OG 2.83Å; I333-Y337 HydrophobicContact CG2-CD2 4.06Å; I333-Y337 HydrophobicContact CG2-CE2 3.94Å; I333-Y337 VanDerWaalsContact O-CD2 3.3Å; I333-Y337 WeakPolarHBondContact O-CD2 3.48Å; I333-Y337 PolarHBondContact O-N 3.39Å; I333-Y361 HydrophobicContact CB-CE1 4.44Å; I333-Y361 HydrophobicContact CD1-CD1 4.3Å; I333-Y361 HydrophobicContact CD1-CD2 3.97Å; I333-Y361 HydrophobicContact CD1-CE1 4.4Å; I333-Y361 HydrophobicContact CD1-CE2 4.06Å; I333-Y361 HydrophobicContact CD1-CG 4.08Å; I333-Y361 HydrophobicContact CG1-CD1 4.42Å; I333-Y361 HydrophobicContact CG1-CD2 4.43Å; I333-Y361 HydrophobicContact CG1-CE1 4.06Å; I333-Y361 HydrophobicContact CG1-CE2 4.04Å; I333-Y361 HydrophobicContact CG2-CD1 3.86Å; I333-Y361 HydrophobicContact CG2-CE1 3.65Å; I333-Y364 HydrophobicContact CB-CG 4.36Å; I333-Y364 HydrophobicContact CG2-CD1 3.36Å; I333-Y364 HydrophobicContact CG2-CD2 4.09Å; I333-Y364 HydrophobicContact CG2-CE1 3.77Å; I333-Y364 HydrophobicContact CG2-CE2 4.43Å; I333-Y364 HydrophobicContact CG2-CG 3.54Å
334	A	97.9	Very high	96.3	Very high	12 Å²	12	39.6 Å²	39.6	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-43.2	177.7	0	0	0	0	0	111.3	K330 F331 S336 Y337 E338 Y364 V438	K330-A334 WeakPolarHBondContact O-CB 3.37Å; K330-A334 PolarHBondContact O-N 3.38Å; F331-A334 PolarHBondContact O-N 3.4Å; A334-S336 PolarHBondContact O-N 3.49Å; A334-Y337 PolarHBondContact O-N 2.88Å; A334-E338 PolarHBondContact O-N 3.35Å; A334-Y364 HydrophobicContact CB-CD2 4.44Å; A334-Y364 HydrophobicContact CB-CE2 3.61Å; A334-V438 HydrophobicContact CB-CG2 3.74Å
335	F	98.6	Very high	96.5	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-41.3	-179.5	-164	-87.1	0	0	0	111.9	I240 Y241 V248 Y286 F302 F331 L332 I333 Y337 E338 L339 V438 L443	I240-F335 HydrophobicContact CD1-CE1 3.86Å; I240-F335 HydrophobicContact CD1-CZ 3.71Å; I240-F335 HydrophobicContact CG1-CZ 4.15Å; Y241-F335 AromaticContact CD2-CE2 3.84Å; Y241-F335 HydrophobicContact CD2-CE2 3.84Å; Y241-F335 AromaticContact CG-CE2 3.76Å; Y241-F335 HydrophobicContact CG-CE2 3.76Å; V248-F335 HydrophobicContact CB-CE1 4.31Å; V248-F335 HydrophobicContact CB-CE2 4.04Å; V248-F335 HydrophobicContact CB-CZ 3.83Å; V248-F335 HydrophobicContact CG1-CD1 4.3Å; V248-F335 HydrophobicContact CG1-CE1 3.77Å; V248-F335 HydrophobicContact CG1-CE2 4.37Å; V248-F335 HydrophobicContact CG1-CZ 3.79Å; V248-F335 HydrophobicContact CG2-CD2 4.05Å; V248-F335 HydrophobicContact CG2-CE2 3.82Å; V248-F335 HydrophobicContact CG2-CZ 4.09Å; Y286-F335 AromaticContact CD1-CE1 3.96Å; Y286-F335 HydrophobicContact CD1-CE1 3.96Å; F302-F335 HydrophobicContact CE1-CB 4.39Å; F302-F335 AromaticContact CE1-CD1 3.84Å; F302-F335 HydrophobicContact CE1-CD1 3.84Å; F302-F335 AromaticContact CZ-CD1 3.96Å; F302-F335 HydrophobicContact CZ-CD1 3.96Å; F331-F335 HydrophobicContact CE1-CB 4.5Å; F331-F335 HydrophobicContact CE1-CD2 4.19Å; F331-F335 HydrophobicContact CZ-CD2 4.26Å; F331-F335 WeakPolarHBondContact O-CB 3.49Å; F331-F335 PolarHBondContact O-N 3.06Å; L332-F335 PolarHBondContact O-N 3.16Å; I333-F335 VanDerWaalsContact C-N 3.27Å; I333-F335 PolarHBondContact O-N 3.42Å; F335-Y337 VanDerWaalsContact C-N 3.28Å; F335-Y337 PolarHBondContact O-N 3.07Å; F335-E338 PolarHBondContact O-N 3.02Å; F335-L339 HydrophobicContact CD1-CD1 4.15Å; F335-L339 HydrophobicContact CD1-CG 4.24Å; F335-L339 HydrophobicContact CE1-CD1 4.04Å; F335-L339 HydrophobicContact CE1-CD2 4.08Å; F335-L339 HydrophobicContact CE1-CG 4.1Å; F335-L339 WeakPolarHBondContact O-CG 3.11Å; F335-L339 PolarHBondContact O-N 3.37Å; F335-L339 VanDerWaalsContact O-N 3.13Å; F335-V438 HydrophobicContact CB-CG2 4.04Å; F335-V438 HydrophobicContact CD2-CG1 3.96Å; F335-V438 HydrophobicContact CD2-CG2 4.19Å; F335-L443 HydrophobicContact CE1-CD1 4.47Å; F335-L443 HydrophobicContact CE2-CD1 3.82Å; F335-L443 HydrophobicContact CZ-CD1 3.52Å
336	S	98.6	Very high	96.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-35.1	176.9	75.7	0	0	0	0	112.5	V314 L332 I333 A334 L339 S340	V314-S336 VanDerWaalsContact CG2-CB 3.44Å; V314-S336 WeakPolarHBondContact CG2-OG 3.47Å; L332-S336 PolarHBondContact O-N 2.93Å; I333-S336 PolarHBondContact O-N 3.05Å; I333-S336 PolarHBondContact O-OG 2.83Å; A334-S336 PolarHBondContact O-N 3.49Å; S336-L339 PolarHBondContact O-N 3.2Å; S336-S340 PolarHBondContact O-N 2.88Å; S336-S340 VanDerWaalsContact O-N 3.16Å; S336-S340 PolarHBondContact O-OG 2.85Å
337	Y	98.5	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-72.1	-35.6	173.5	-78.7	-69.4	0	0	0	113.3	I333 A334 F335 L339 S340 K341 G347 Y361 Y364 W365 S390 I391	I333-Y337 HydrophobicContact CG2-CD2 4.06Å; I333-Y337 HydrophobicContact CG2-CE2 3.94Å; I333-Y337 VanDerWaalsContact O-CD2 3.3Å; I333-Y337 WeakPolarHBondContact O-CD2 3.48Å; I333-Y337 PolarHBondContact O-N 3.39Å; A334-Y337 PolarHBondContact O-N 2.88Å; F335-Y337 VanDerWaalsContact C-N 3.28Å; F335-Y337 PolarHBondContact O-N 3.07Å; Y337-L339 VanDerWaalsContact C-N 3.27Å; Y337-L339 PolarHBondContact O-N 3.17Å; Y337-S340 WeakPolarHBondContact O-CB 3.4Å; Y337-S340 PolarHBondContact O-N 2.89Å; Y337-S340 VanDerWaalsContact O-N 3.14Å; Y337-K341 WeakPolarHBondContact O-CG 3.49Å; Y337-K341 PolarHBondContact O-N 3.3Å; Y337-G347 WeakPolarHBondContact CE1-O 3.39Å; Y337-G347 PolarHBondContact OH-O 3.42Å; Y337-Y361 HydrophobicContact CE2-CE1 4.29Å; Y337-Y364 HydrophobicContact CD2-CD1 4.23Å; Y337-Y364 AromaticContact CD2-CE1 3.32Å; Y337-Y364 HydrophobicContact CD2-CE1 3.32Å; Y337-Y364 AromaticContact CD2-CZ 3.83Å; Y337-Y364 HydrophobicContact CE2-CD1 4.1Å; Y337-Y364 AromaticContact CE2-CE1 3.55Å; Y337-Y364 HydrophobicContact CE2-CE1 3.55Å; Y337-Y364 HydrophobicContact CG-CE1 4.25Å; Y337-W365 AromaticContact CE2-NE1 3.66Å; Y337-W365 AromaticContact CZ-NE1 3.56Å; Y337-W365 PolarHBondContact OH-NE1 2.97Å; Y337-S390 WeakPolarHBondContact CE1-O 3.07Å; Y337-I391 HydrophobicContact CD1-CG1 4.07Å; Y337-I391 HydrophobicContact CE1-CB 4.23Å; Y337-I391 HydrophobicContact CE1-CG1 3.64Å; Y337-I391 HydrophobicContact CE2-CG1 4.38Å
338	E	98.3	Very high	97.2	Very high	33 Å²	33	25.2 Å²	25.2	15%	0.154	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-38.2	172.6	-67.8	-51.8	133.8	0	0	111.9	A334 F335 K341 L342 V438 L443	A334-E338 PolarHBondContact O-N 3.35Å; F335-E338 PolarHBondContact O-N 3.02Å; E338-K341 PolarHBondContact O-N 3.5Å; E338-K341 IonicContact OE1-NZ 2.83Å; E338-K341 PolarHBondContact OE1-NZ 2.78Å; E338-K341 IonicContact OE2-NZ 2.69Å; E338-L342 WeakPolarHBondContact O-CG 3.48Å; E338-L342 PolarHBondContact O-N 2.9Å; E338-L342 VanDerWaalsContact O-N 3.12Å; E338-V438 HydrophobicContact CG-CB 4.23Å; E338-V438 HydrophobicContact CG-CG1 3.8Å; E338-L443 HydrophobicContact CB-CD2 3.93Å
339	L	97.9	Very high	97.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-44.1	172.2	-60.1	176.5	0	0	0	111.9	I240 Y286 F302 F335 S336 Y337 K341 L342 E343 L443 W445	I240-L339 HydrophobicContact CD1-CD2 4.49Å; Y286-L339 HydrophobicContact CD1-CD1 3.87Å; Y286-L339 HydrophobicContact CD2-CD1 4.29Å; Y286-L339 HydrophobicContact CE1-CD1 3.37Å; Y286-L339 HydrophobicContact CE1-CD2 4.33Å; Y286-L339 HydrophobicContact CE1-CG 4.49Å; Y286-L339 HydrophobicContact CE2-CD1 3.86Å; Y286-L339 HydrophobicContact CG-CD1 4.29Å; F302-L339 HydrophobicContact CE2-CD1 4.3Å; F302-L339 HydrophobicContact CZ-CD1 3.81Å; F335-L339 HydrophobicContact CD1-CD1 4.15Å; F335-L339 HydrophobicContact CD1-CG 4.24Å; F335-L339 HydrophobicContact CE1-CD1 4.04Å; F335-L339 HydrophobicContact CE1-CD2 4.08Å; F335-L339 HydrophobicContact CE1-CG 4.1Å; F335-L339 WeakPolarHBondContact O-CG 3.11Å; F335-L339 PolarHBondContact O-N 3.37Å; F335-L339 VanDerWaalsContact O-N 3.13Å; S336-L339 PolarHBondContact O-N 3.2Å; Y337-L339 VanDerWaalsContact C-N 3.27Å; Y337-L339 PolarHBondContact O-N 3.17Å; L339-K341 VanDerWaalsContact C-N 3.3Å; L339-K341 PolarHBondContact O-N 3.12Å; L339-L342 PolarHBondContact O-N 2.94Å; L339-E343 WeakPolarHBondContact O-CG 3.37Å; L339-E343 PolarHBondContact O-N 2.9Å; L339-L443 HydrophobicContact CD2-CD2 4.43Å; L339-W445 HydrophobicContact CD2-CB 4.48Å; L339-W445 HydrophobicContact CD2-CD2 3.71Å; L339-W445 HydrophobicContact CD2-CE3 3.94Å; L339-W445 HydrophobicContact CD2-CG 3.96Å; L339-W445 HydrophobicContact CD2-CZ3 4.42Å
340	S	97.7	Very high	96.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-37.7	176.2	-65.4	0	0	0	0	112.6	N313 S336 Y337 E343 S344 T345	N313-S340 VanDerWaalsContact CB-OG 3.31Å; N313-S340 WeakPolarHBondContact CB-OG 3.37Å; N313-S340 PolarHBondContact ND2-OG 3.38Å; N313-S340 VanDerWaalsContact ND2-OG 3.15Å; S336-S340 PolarHBondContact O-N 2.88Å; S336-S340 VanDerWaalsContact O-N 3.16Å; S336-S340 PolarHBondContact O-OG 2.85Å; Y337-S340 WeakPolarHBondContact O-CB 3.4Å; Y337-S340 PolarHBondContact O-N 2.89Å; Y337-S340 VanDerWaalsContact O-N 3.14Å; S340-E343 CarbonylContact O-C 3.57Å; S340-E343 PolarHBondContact O-N 3.22Å; S340-S344 PolarHBondContact O-N 2.92Å; S340-S344 VanDerWaalsContact O-N 3.13Å; S340-T345 PolarHBondContact O-N 3.42Å; S340-T345 VanDerWaalsContact O-O 3.13Å
341	K	97.3	Very high	96.4	Very high	70 Å²	70	32.5 Å²	32.5	30%	0.304	17%	0.174	S	C	.	.	H	α-helix	trans	-62.6	-46.1	174.8	-70.2	171.5	-172.4	173.4	0	111.3	Y337 E338 L339 E343 S344 M388 S390	Y337-K341 WeakPolarHBondContact O-CG 3.49Å; Y337-K341 PolarHBondContact O-N 3.3Å; E338-K341 PolarHBondContact O-N 3.5Å; E338-K341 IonicContact OE1-NZ 2.83Å; E338-K341 PolarHBondContact OE1-NZ 2.78Å; E338-K341 IonicContact OE2-NZ 2.69Å; L339-K341 VanDerWaalsContact C-N 3.3Å; L339-K341 PolarHBondContact O-N 3.12Å; K341-E343 VanDerWaalsContact C-N 3.25Å; K341-E343 PolarHBondContact O-N 3.43Å; K341-S344 PolarHBondContact O-N 3.25Å; K341-M388 WeakPolarHBondContact CE-O 3.11Å; K341-S390 WeakPolarHBondContact CA-OG 3.28Å; K341-S390 WeakPolarHBondContact CG-OG 3.36Å; K341-S390 PolarHBondContact N-OG 2.64Å
342	L	96.1	Very high	95.8	Very high	77 Å²	77	37.1 Å²	37.1	40%	0.403	20%	0.204	S	C	.	.	H	α-helix	trans	-64.6	-29.3	176.2	-69	174.8	0	0	0	112.7	E338 L339 S344 L443 W445 P447	E338-L342 WeakPolarHBondContact O-CG 3.48Å; E338-L342 PolarHBondContact O-N 2.9Å; E338-L342 VanDerWaalsContact O-N 3.12Å; L339-L342 PolarHBondContact O-N 2.94Å; L342-S344 VanDerWaalsContact C-N 3.27Å; L342-L443 HydrophobicContact CD1-CD2 3.62Å; L342-L443 HydrophobicContact CD1-CG 4.11Å; L342-W445 HydrophobicContact CB-CE3 3.84Å; L342-W445 HydrophobicContact CB-CZ3 3.74Å; L342-W445 HydrophobicContact CD1-CB 4.41Å; L342-W445 HydrophobicContact CD1-CE3 3.72Å; L342-W445 HydrophobicContact CD1-CZ3 4.46Å; L342-W445 HydrophobicContact CG-CE3 4.45Å; L342-P447 VanDerWaalsContact O-CG 3.29Å; L342-P447 WeakPolarHBondContact O-CG 3.47Å
343	E	95.4	Very high	95	Very high	15 Å²	15	38.5 Å²	38.5	7%	0.07	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.4	171.5	-71.2	-179.8	139.2	0	0	113.9	K304 L339 S340 K341 T345 W445 P447 K451	K304-E343 IonicContact NZ-OE1 2.71Å; K304-E343 PolarHBondContact NZ-OE1 3.16Å; K304-E343 VanDerWaalsContact NZ-OE1 3.15Å; K304-E343 IonicContact NZ-OE2 3.19Å; K304-E343 PolarHBondContact NZ-OE2 3.18Å; L339-E343 WeakPolarHBondContact O-CG 3.37Å; L339-E343 PolarHBondContact O-N 2.9Å; S340-E343 CarbonylContact O-C 3.57Å; S340-E343 PolarHBondContact O-N 3.22Å; K341-E343 VanDerWaalsContact C-N 3.25Å; K341-E343 PolarHBondContact O-N 3.43Å; E343-T345 HydrophobicContact CB-CG2 3.8Å; E343-T345 PolarHBondContact O-N 2.9Å; E343-W445 HydrophobicContact CG-CH2 3.57Å; E343-W445 HydrophobicContact CG-CZ3 3.91Å; E343-P447 HydrophobicContact CG-CB 4.18Å; E343-P447 HydrophobicContact CG-CG 4.05Å; E343-K451 IonicContact OE1-NZ 3.88Å; E343-K451 PolarHBondContact OE1-NZ 2.83Å
344	S	95.9	Very high	94.4	Very high	101 Å²	101	41.3 Å²	41.3	71%	0.706	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.3	-172.9	-58.6	0	0	0	0	112.9	S340 K341 L342	S340-S344 PolarHBondContact O-N 2.92Å; S340-S344 VanDerWaalsContact O-N 3.13Å; K341-S344 PolarHBondContact O-N 3.25Å; L342-S344 VanDerWaalsContact C-N 3.27Å
345	T	96.2	Very high	93.7	Very high	62 Å²	62	45.4 Å²	45.4	38%	0.38	25%	0.251	S	S	.	.			trans	-124.1	159.2	179.1	-165.4	0	0	0	0	110.9	S340 E343 S390	S340-T345 PolarHBondContact O-N 3.42Å; S340-T345 VanDerWaalsContact O-O 3.13Å; E343-T345 HydrophobicContact CB-CG2 3.8Å; E343-T345 PolarHBondContact O-N 2.9Å; T345-S390 WeakPolarHBondContact O-CB 3.27Å; T345-S390 PolarHBondContact O-OG 3.17Å
346	V	97.3	Very high	93.1	Very high	62 Å²	62	49.4 Å²	49.4	38%	0.376	27%	0.273	S	S	.	.			trans	-94.7	155.7	166.5	-60.2	0	0	0	0	109.2	S386 S390	V346-S386 WeakPolarHBondContact CG1-OG 3.2Å; V346-S390 CarbonylContact C-O 3.43Å; V346-S390 VanDerWaalsContact CA-O 3.25Å; V346-S390 WeakPolarHBondContact CA-O 3.26Å
347	G	96.3	Very high	92.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.01	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-154.6	157.7	179.3	0	0	0	0	0	113.5	G311 Y337 S390 T392	G311-G347 WeakPolarHBondContact O-CA 3.4Å; Y337-G347 WeakPolarHBondContact CE1-O 3.39Å; Y337-G347 PolarHBondContact OH-O 3.42Å; G347-S390 PolarHBondContact N-O 3.17Å; G347-T392 WeakPolarHBondContact O-CG2 3.4Å
348	S	96.6	Very high	92.4	Very high	12 Å²	12	52.9 Å²	52.9	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.5	173.2	-155.2	0	0	0	0	108.2	N312 N313 D395	N312-S348 CarbonylContact C-O 3.55Å; N312-S348 WeakPolarHBondContact CA-O 3.31Å; N313-S348 PolarHBondContact N-O 3.24Å; N313-S348 PolarHBondContact OD1-O 3.37Å; S348-D395 WeakPolarHBondContact CB-OD2 3.37Å; S348-D395 PolarHBondContact OG-OD2 2.93Å
349	P	96.4	Very high	92	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.013	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	150.3	165.6	28.3	-35.5	0	0	0	111.9	V314 L353 Y361	V314-P349 HydrophobicContact CB-CB 4.36Å; P349-L353 HydrophobicContact CB-CD1 4.48Å; P349-L353 HydrophobicContact CB-CD2 3.9Å; P349-L353 HydrophobicContact CB-CG 4.43Å; P349-L353 HydrophobicContact CG-CD1 3.82Å; P349-L353 HydrophobicContact CG-CD2 4.15Å; P349-L353 HydrophobicContact CG-CG 4.26Å; P349-Y361 HydrophobicContact CB-CE1 4.03Å; P349-Y361 HydrophobicContact CB-CE2 3.92Å; P349-Y361 HydrophobicContact CG-CD1 3.92Å; P349-Y361 HydrophobicContact CG-CD2 4.17Å; P349-Y361 HydrophobicContact CG-CE1 3.65Å; P349-Y361 HydrophobicContact CG-CE2 3.94Å; P349-Y361 HydrophobicContact CG-CG 4.17Å
350	E	89.2	Confident	91.7	Very high	82 Å²	82	57.5 Å²	57.5	38%	0.383	32%	0.318	S	S	.	.			trans	-56.2	145.7	168.8	-170	-176	156.7	0	0	111	N312 V314 A315	N312-E350 HydrophobicContact CB-CB 4.44Å; V314-E350 WeakPolarHBondContact O-CB 3.48Å; V314-E350 PolarHBondContact O-N 3.47Å; A315-E350 VanDerWaalsContact CA-OE2 3.23Å; A315-E350 WeakPolarHBondContact CA-OE2 3.33Å; A315-E350 VanDerWaalsContact CB-OE2 3.31Å; A315-E350 WeakPolarHBondContact CB-OE2 3.26Å
351	K	86	Confident	91.6	Very high	146 Å²	146	57.6 Å²	57.6	64%	0.635	32%	0.318	S	S	*	.	S	Bend	trans	-116.1	146.3	-178.3	-66	174	-175.1	170.6	0	109.4
352	P	84.6	Confident	91.4	Very high	99 Å²	99	59.6 Å²	59.6	64%	0.643	32%	0.324	S	S	*	.	S	Bend	cis	-81.6	138.7	4.7	31.7	-34.3	0	0	0	113.9
353	L	81.3	Confident	91.2	Very high	29 Å²	29	56.6 Å²	56.6	15%	0.152	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-76.7	146.9	170.4	-77.9	172.8	0	0	0	111.5	P349 K358 Y361	P349-L353 HydrophobicContact CB-CD1 4.48Å; P349-L353 HydrophobicContact CB-CD2 3.9Å; P349-L353 HydrophobicContact CB-CG 4.43Å; P349-L353 HydrophobicContact CG-CD1 3.82Å; P349-L353 HydrophobicContact CG-CD2 4.15Å; P349-L353 HydrophobicContact CG-CG 4.26Å; L353-K358 HydrophobicContact CB-CD 4.47Å; L353-K358 HydrophobicContact CB-CG 3.58Å; L353-K358 HydrophobicContact CD1-CG 4.12Å; L353-K358 WeakPolarHBondContact O-CE 3.42Å; L353-K358 PolarHBondContact O-NZ 3.1Å; L353-Y361 HydrophobicContact CD1-CD2 3.96Å; L353-Y361 HydrophobicContact CD1-CG 4.41Å; L353-Y361 HydrophobicContact CD2-CD2 4.17Å; L353-Y361 HydrophobicContact CD2-CE2 4.03Å
354	S	85.8	Confident	91.2	Very high	61 Å²	61	56.2 Å²	56.2	43%	0.427	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-64.1	157.7	165	69.2	0	0	0	0	111.5	L356 G357 K358	S354-L356 VanDerWaalsContact C-N 3.28Å; S354-L356 PolarHBondContact O-N 3.37Å; S354-G357 CarbonylContact O-C 3.6Å; S354-G357 WeakPolarHBondContact O-CA 3.34Å; S354-G357 PolarHBondContact O-N 3.24Å; S354-G357 PolarHBondContact OG-N 3.45Å; S354-G357 VanDerWaalsContact OG-N 3.16Å; S354-K358 PolarHBondContact O-N 3.39Å
355	D	83.9	Confident	91.2	Very high	98 Å²	98	52.5 Å²	52.5	52%	0.524	28%	0.278	S	S	.	.	H	α-helix	trans	-57.7	-42	-179.9	-63.4	-21.6	0	0	0	112.4	G357 K358 L359	D355-G357 VanDerWaalsContact C-N 3.31Å; D355-G357 PolarHBondContact O-N 3.03Å; D355-K358 PolarHBondContact O-N 3.09Å; D355-L359 WeakPolarHBondContact O-CG 3.31Å; D355-L359 PolarHBondContact O-N 3.25Å
356	L	86.8	Confident	91.2	Very high	86 Å²	86	49.5 Å²	49.5	45%	0.45	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-37.6	175.2	-173.8	62.1	0	0	0	111.6	S354 S360	S354-L356 VanDerWaalsContact C-N 3.28Å; S354-L356 PolarHBondContact O-N 3.37Å; L356-S360 WeakPolarHBondContact O-CB 3.42Å; L356-S360 PolarHBondContact O-N 3.14Å; L356-S360 PolarHBondContact O-OG 3.38Å
357	G	90.8	Very high	91	Very high	9 Å²	9	47.8 Å²	47.8	9%	0.093	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-53.2	172.8	0	0	0	0	0	111.6	S354 D355 L359 S360 Y361	S354-G357 CarbonylContact O-C 3.6Å; S354-G357 WeakPolarHBondContact O-CA 3.34Å; S354-G357 PolarHBondContact O-N 3.24Å; S354-G357 PolarHBondContact OG-N 3.45Å; S354-G357 VanDerWaalsContact OG-N 3.16Å; D355-G357 VanDerWaalsContact C-N 3.31Å; D355-G357 PolarHBondContact O-N 3.03Å; G357-L359 PolarHBondContact O-N 3.05Å; G357-S360 WeakPolarHBondContact O-CB 3.39Å; G357-S360 PolarHBondContact O-N 3.41Å; G357-S360 VanDerWaalsContact O-N 3.07Å; G357-Y361 WeakPolarHBondContact O-CD2 3.4Å; G357-Y361 PolarHBondContact O-N 2.98Å
358	K	90	Very high	90.9	Very high	64 Å²	64	48.6 Å²	48.6	28%	0.278	25%	0.251	S	S	.	.	H	α-helix	trans	-56.1	-47.5	179.1	-69.3	174.2	-174.5	150.4	0	112.3	H151 L353 S354 D355 S360 Y361 R362	H151-K358 PolarHBondContact CD2-NZ 3.46Å; H151-K358 WeakPolarHBondContact NE2-CD 3.36Å; H151-K358 WeakPolarHBondContact NE2-CE 3.24Å; H151-K358 PolarHBondContact NE2-NZ 3.45Å; L353-K358 HydrophobicContact CB-CD 4.47Å; L353-K358 HydrophobicContact CB-CG 3.58Å; L353-K358 HydrophobicContact CD1-CG 4.12Å; L353-K358 WeakPolarHBondContact O-CE 3.42Å; L353-K358 PolarHBondContact O-NZ 3.1Å; S354-K358 PolarHBondContact O-N 3.39Å; D355-K358 PolarHBondContact O-N 3.09Å; K358-S360 VanDerWaalsContact C-N 3.3Å; K358-S360 PolarHBondContact O-N 3.46Å; K358-Y361 PolarHBondContact O-N 2.98Å; K358-R362 VanDerWaalsContact O-CB 3.31Å; K358-R362 WeakPolarHBondContact O-CB 3.43Å; K358-R362 PolarHBondContact O-N 3.37Å
359	L	89.9	Confident	90.9	Very high	96 Å²	96	48 Å²	48	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-40.5	177.3	-72.5	173.7	0	0	0	111.8	D355 G357 S363	D355-L359 WeakPolarHBondContact O-CG 3.31Å; D355-L359 PolarHBondContact O-N 3.25Å; G357-L359 PolarHBondContact O-N 3.05Å; L359-S363 VanDerWaalsContact O-CB 3.31Å; L359-S363 WeakPolarHBondContact O-CB 3.38Å; L359-S363 PolarHBondContact O-N 3.46Å
360	S	92.8	Very high	90.8	Very high	35 Å²	35	48 Å²	48	25%	0.245	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-47.2	179.9	-59.1	0	0	0	0	112.2	L356 G357 K358 S363 Y364	L356-S360 WeakPolarHBondContact O-CB 3.42Å; L356-S360 PolarHBondContact O-N 3.14Å; L356-S360 PolarHBondContact O-OG 3.38Å; G357-S360 WeakPolarHBondContact O-CB 3.39Å; G357-S360 PolarHBondContact O-N 3.41Å; G357-S360 VanDerWaalsContact O-N 3.07Å; K358-S360 VanDerWaalsContact C-N 3.3Å; K358-S360 PolarHBondContact O-N 3.46Å; S360-S363 PolarHBondContact O-N 2.97Å; S360-Y364 WeakPolarHBondContact O-CB 3.44Å; S360-Y364 PolarHBondContact O-N 3.41Å
361	Y	95.4	Very high	90.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-46.2	176.6	-86.2	-84	0	0	0	111.8	V314 I317 I333 Y337 P349 L353 G357 K358 S363 Y364 W365	V314-Y361 WeakPolarHBondContact CG2-OH 3.42Å; I317-Y361 HydrophobicContact CG2-CE2 4.33Å; I333-Y361 HydrophobicContact CB-CE1 4.44Å; I333-Y361 HydrophobicContact CD1-CD1 4.3Å; I333-Y361 HydrophobicContact CD1-CD2 3.97Å; I333-Y361 HydrophobicContact CD1-CE1 4.4Å; I333-Y361 HydrophobicContact CD1-CE2 4.06Å; I333-Y361 HydrophobicContact CD1-CG 4.08Å; I333-Y361 HydrophobicContact CG1-CD1 4.42Å; I333-Y361 HydrophobicContact CG1-CD2 4.43Å; I333-Y361 HydrophobicContact CG1-CE1 4.06Å; I333-Y361 HydrophobicContact CG1-CE2 4.04Å; I333-Y361 HydrophobicContact CG2-CD1 3.86Å; I333-Y361 HydrophobicContact CG2-CE1 3.65Å; Y337-Y361 HydrophobicContact CE2-CE1 4.29Å; P349-Y361 HydrophobicContact CB-CE1 4.03Å; P349-Y361 HydrophobicContact CB-CE2 3.92Å; P349-Y361 HydrophobicContact CG-CD1 3.92Å; P349-Y361 HydrophobicContact CG-CD2 4.17Å; P349-Y361 HydrophobicContact CG-CE1 3.65Å; P349-Y361 HydrophobicContact CG-CE2 3.94Å; P349-Y361 HydrophobicContact CG-CG 4.17Å; L353-Y361 HydrophobicContact CD1-CD2 3.96Å; L353-Y361 HydrophobicContact CD1-CG 4.41Å; L353-Y361 HydrophobicContact CD2-CD2 4.17Å; L353-Y361 HydrophobicContact CD2-CE2 4.03Å; G357-Y361 WeakPolarHBondContact O-CD2 3.4Å; G357-Y361 PolarHBondContact O-N 2.98Å; K358-Y361 PolarHBondContact O-N 2.98Å; Y361-S363 VanDerWaalsContact C-N 3.33Å; Y361-S363 PolarHBondContact O-N 3.37Å; Y361-Y364 PolarHBondContact O-N 3.05Å; Y361-Y364 VanDerWaalsContact O-N 3.16Å; Y361-W365 AromaticContact CD1-CE2 3.85Å; Y361-W365 HydrophobicContact CD1-CH2 4.45Å; Y361-W365 AromaticContact CD1-CZ2 3.67Å; Y361-W365 HydrophobicContact CD1-CZ2 3.67Å; Y361-W365 AromaticContact CD1-NE1 3.98Å; Y361-W365 HydrophobicContact CG-CZ2 4.22Å; Y361-W365 VanDerWaalsContact O-CG 3.28Å; Y361-W365 PolarHBondContact O-N 3.16Å
362	R	93	Very high	91.2	Very high	113 Å²	113	40.9 Å²	40.9	43%	0.426	22%	0.217	S	C	.	.	H	α-helix	trans	-59.2	-45	176.6	-170.6	174.4	70	-178.2	1.9	111.5	K358 Y364 S366	K358-R362 VanDerWaalsContact O-CB 3.31Å; K358-R362 WeakPolarHBondContact O-CB 3.43Å; K358-R362 PolarHBondContact O-N 3.37Å; R362-Y364 VanDerWaalsContact C-N 3.35Å; R362-Y364 PolarHBondContact O-N 3.45Å; R362-S366 WeakPolarHBondContact O-CB 3.43Å; R362-S366 PolarHBondContact O-N 2.93Å; R362-S366 PolarHBondContact O-OG 3.2Å
363	S	92.3	Very high	91.6	Very high	14 Å²	14	37.3 Å²	37.3	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-39.6	176.8	-176.7	0	0	0	0	112.5	K330 L359 S360 Y361 W367 Q430	K330-S363 WeakPolarHBondContact CE-OG 3.35Å; K330-S363 PolarHBondContact NZ-OG 3.04Å; L359-S363 VanDerWaalsContact O-CB 3.31Å; L359-S363 WeakPolarHBondContact O-CB 3.38Å; L359-S363 PolarHBondContact O-N 3.46Å; S360-S363 PolarHBondContact O-N 2.97Å; Y361-S363 VanDerWaalsContact C-N 3.33Å; Y361-S363 PolarHBondContact O-N 3.37Å; S363-W367 WeakPolarHBondContact O-CB 3.35Å; S363-W367 PolarHBondContact O-N 2.92Å; S363-W367 VanDerWaalsContact O-N 3.16Å; S363-Q430 PolarHBondContact OG-O 2.83Å
364	Y	94.8	Very high	92	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-51.9	176.2	171	-97.5	0	0	0	111.8	I333 A334 Y337 S360 Y361 R362 S366 W367 V368	I333-Y364 HydrophobicContact CB-CG 4.36Å; I333-Y364 HydrophobicContact CG2-CD1 3.36Å; I333-Y364 HydrophobicContact CG2-CD2 4.09Å; I333-Y364 HydrophobicContact CG2-CE1 3.77Å; I333-Y364 HydrophobicContact CG2-CE2 4.43Å; I333-Y364 HydrophobicContact CG2-CG 3.54Å; A334-Y364 HydrophobicContact CB-CD2 4.44Å; A334-Y364 HydrophobicContact CB-CE2 3.61Å; Y337-Y364 HydrophobicContact CD2-CD1 4.23Å; Y337-Y364 AromaticContact CD2-CE1 3.32Å; Y337-Y364 HydrophobicContact CD2-CE1 3.32Å; Y337-Y364 AromaticContact CD2-CZ 3.83Å; Y337-Y364 HydrophobicContact CE2-CD1 4.1Å; Y337-Y364 AromaticContact CE2-CE1 3.55Å; Y337-Y364 HydrophobicContact CE2-CE1 3.55Å; Y337-Y364 HydrophobicContact CG-CE1 4.25Å; S360-Y364 WeakPolarHBondContact O-CB 3.44Å; S360-Y364 PolarHBondContact O-N 3.41Å; Y361-Y364 PolarHBondContact O-N 3.05Å; Y361-Y364 VanDerWaalsContact O-N 3.16Å; R362-Y364 VanDerWaalsContact C-N 3.35Å; R362-Y364 PolarHBondContact O-N 3.45Å; Y364-S366 PolarHBondContact O-N 2.96Å; Y364-W367 HydrophobicContact CD2-CE3 4.29Å; Y364-W367 HydrophobicContact CD2-CZ3 4.47Å; Y364-W367 HydrophobicContact CE2-CE3 4.5Å; Y364-W367 HydrophobicContact CE2-CZ3 4.32Å; Y364-W367 PolarHBondContact O-N 3.42Å; Y364-V368 HydrophobicContact CD1-CG2 4.47Å; Y364-V368 HydrophobicContact CD2-CG2 4.12Å; Y364-V368 HydrophobicContact CE1-CG2 4.02Å; Y364-V368 HydrophobicContact CE2-CG2 3.63Å; Y364-V368 WeakPolarHBondContact O-CG2 3.34Å; Y364-V368 PolarHBondContact O-N 2.68Å
365	W	96.6	Very high	92.1	Very high	22 Å²	22	41.4 Å²	41.4	8%	0.083	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-46.5	179.5	-63.6	-31.2	0	0	0	111.7	Y337 Y361 W367 V368 L369 I391 D395 T399	Y337-W365 AromaticContact CE2-NE1 3.66Å; Y337-W365 AromaticContact CZ-NE1 3.56Å; Y337-W365 PolarHBondContact OH-NE1 2.97Å; Y361-W365 AromaticContact CD1-CE2 3.85Å; Y361-W365 HydrophobicContact CD1-CH2 4.45Å; Y361-W365 AromaticContact CD1-CZ2 3.67Å; Y361-W365 HydrophobicContact CD1-CZ2 3.67Å; Y361-W365 AromaticContact CD1-NE1 3.98Å; Y361-W365 HydrophobicContact CG-CZ2 4.22Å; Y361-W365 VanDerWaalsContact O-CG 3.28Å; Y361-W365 PolarHBondContact O-N 3.16Å; W365-W367 VanDerWaalsContact C-N 3.31Å; W365-W367 PolarHBondContact O-N 3.2Å; W365-V368 PolarHBondContact O-N 2.63Å; W365-L369 WeakPolarHBondContact O-CB 3.45Å; W365-L369 VanDerWaalsContact O-CG 3.24Å; W365-L369 WeakPolarHBondContact O-CG 3.39Å; W365-L369 PolarHBondContact O-N 3.12Å; W365-I391 HydrophobicContact CG-CD1 4.36Å; W365-D395 HydrophobicContact CD2-CB 4.36Å; W365-D395 HydrophobicContact CE3-CB 4.3Å; W365-D395 HydrophobicContact CH2-CB 3.87Å; W365-D395 HydrophobicContact CZ2-CB 3.92Å; W365-D395 HydrophobicContact CZ3-CB 4.07Å; W365-T399 HydrophobicContact CB-CG2 3.97Å
366	S	94.8	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-46.2	176.5	-62.7	0	0	0	0	111.4	R362 Y364 L370 Y431	R362-S366 WeakPolarHBondContact O-CB 3.43Å; R362-S366 PolarHBondContact O-N 2.93Å; R362-S366 PolarHBondContact O-OG 3.2Å; Y364-S366 PolarHBondContact O-N 2.96Å; S366-L370 VanDerWaalsContact O-CB 3.29Å; S366-L370 WeakPolarHBondContact O-CB 3.43Å; S366-L370 WeakPolarHBondContact O-CD1 3.47Å; S366-L370 WeakPolarHBondContact O-CG 3.36Å; S366-L370 PolarHBondContact O-N 3.19Å; S366-Y431 VanDerWaalsContact CB-CE1 3.4Å
367	W	93.8	Very high	91.6	Very high	26 Å²	26	46.2 Å²	46.2	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-49.5	179.9	170	58.4	0	0	0	112.4	S363 Y364 W365 L369 L370 E371 Y431 K433 P434 T437	S363-W367 WeakPolarHBondContact O-CB 3.35Å; S363-W367 PolarHBondContact O-N 2.92Å; S363-W367 VanDerWaalsContact O-N 3.16Å; Y364-W367 HydrophobicContact CD2-CE3 4.29Å; Y364-W367 HydrophobicContact CD2-CZ3 4.47Å; Y364-W367 HydrophobicContact CE2-CE3 4.5Å; Y364-W367 HydrophobicContact CE2-CZ3 4.32Å; Y364-W367 PolarHBondContact O-N 3.42Å; W365-W367 VanDerWaalsContact C-N 3.31Å; W365-W367 PolarHBondContact O-N 3.2Å; W367-L369 PolarHBondContact O-N 2.71Å; W367-L370 PolarHBondContact O-N 2.97Å; W367-E371 WeakPolarHBondContact CZ2-OE2 3.47Å; W367-E371 WeakPolarHBondContact O-CB 3.49Å; W367-E371 PolarHBondContact O-N 3.33Å; W367-Y431 VanDerWaalsContact CD1-O 3.26Å; W367-K433 HydrophobicContact CZ2-CG 3.97Å; W367-P434 HydrophobicContact CD2-CG 3.97Å; W367-P434 HydrophobicContact CE3-CG 3.66Å; W367-P434 HydrophobicContact CH2-CG 3.86Å; W367-P434 HydrophobicContact CZ2-CG 4.17Å; W367-P434 HydrophobicContact CZ3-CG 3.59Å; W367-T437 HydrophobicContact CH2-CG2 4.16Å
368	V	94.9	Very high	91.1	Very high	17 Å²	17	49 Å²	49	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-45.4	-179.7	171.6	0	0	0	0	111.5	Y364 W365 E371 I372 T389 I391	Y364-V368 HydrophobicContact CD1-CG2 4.47Å; Y364-V368 HydrophobicContact CD2-CG2 4.12Å; Y364-V368 HydrophobicContact CE1-CG2 4.02Å; Y364-V368 HydrophobicContact CE2-CG2 3.63Å; Y364-V368 WeakPolarHBondContact O-CG2 3.34Å; Y364-V368 PolarHBondContact O-N 2.68Å; W365-V368 PolarHBondContact O-N 2.63Å; V368-E371 PolarHBondContact O-N 3.06Å; V368-I372 HydrophobicContact CG1-CD1 4.04Å; V368-I372 WeakPolarHBondContact O-CG1 3.42Å; V368-I372 PolarHBondContact O-N 3.23Å; V368-I372 VanDerWaalsContact O-N 3.14Å; V368-T389 HydrophobicContact CG1-CG2 3.64Å; V368-I391 HydrophobicContact CG1-CD1 4.41Å
369	L	95.4	Very high	90.8	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-41.5	-179.6	-64.9	-177.4	0	0	0	111.8	W365 W367 E371 I372 L373 L385 I396 T399 L400	W365-L369 WeakPolarHBondContact O-CB 3.45Å; W365-L369 VanDerWaalsContact O-CG 3.24Å; W365-L369 WeakPolarHBondContact O-CG 3.39Å; W365-L369 PolarHBondContact O-N 3.12Å; W367-L369 PolarHBondContact O-N 2.71Å; L369-E371 VanDerWaalsContact C-N 3.35Å; L369-I372 PolarHBondContact O-N 3.17Å; L369-L373 WeakPolarHBondContact O-CB 3.38Å; L369-L373 WeakPolarHBondContact O-CG 3.34Å; L369-L373 PolarHBondContact O-N 3.23Å; L369-L385 HydrophobicContact CD2-CB 4.4Å; L369-L385 HydrophobicContact CD2-CD1 4.13Å; L369-L385 HydrophobicContact CD2-CD2 4.23Å; L369-I396 HydrophobicContact CD1-CB 4.49Å; L369-I396 HydrophobicContact CD1-CG1 4.47Å; L369-I396 HydrophobicContact CD1-CG2 4.13Å; L369-I396 HydrophobicContact CD2-CG1 4.29Å; L369-I396 HydrophobicContact CD2-CG2 4.47Å; L369-T399 HydrophobicContact CD1-CG2 3.83Å; L369-L400 HydrophobicContact CD1-CD2 4.1Å; L369-L400 HydrophobicContact CD1-CG 4.13Å
370	L	93.7	Very high	90.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-39.5	176.7	-72.3	167.7	0	0	0	112.1	S366 W367 L373 R374 L403 M405 V422 H425 L426 Y431	S366-L370 VanDerWaalsContact O-CB 3.29Å; S366-L370 WeakPolarHBondContact O-CB 3.43Å; S366-L370 WeakPolarHBondContact O-CD1 3.47Å; S366-L370 WeakPolarHBondContact O-CG 3.36Å; S366-L370 PolarHBondContact O-N 3.19Å; W367-L370 PolarHBondContact O-N 2.97Å; L370-L373 PolarHBondContact O-N 3.13Å; L370-R374 WeakPolarHBondContact O-CB 3.33Å; L370-R374 PolarHBondContact O-N 2.94Å; L370-L403 HydrophobicContact CD2-CD1 4.41Å; L370-L403 HydrophobicContact CG-CD1 4.31Å; L370-M405 HydrophobicContact CD2-CE 3.52Å; L370-M405 HydrophobicContact CD2-SD 3.96Å; L370-V422 HydrophobicContact CB-CG1 4.45Å; L370-V422 HydrophobicContact CD2-CG1 4.06Å; L370-V422 WeakPolarHBondContact O-CG1 3.38Å; L370-H425 HydrophobicContact CD1-CB 3.72Å; L370-H425 HydrophobicContact CD2-CB 3.75Å; L370-H425 HydrophobicContact CG-CB 4.42Å; L370-L426 HydrophobicContact CB-CD2 3.66Å; L370-L426 HydrophobicContact CB-CG 4.04Å; L370-L426 HydrophobicContact CD1-CD2 4.26Å; L370-Y431 HydrophobicContact CD1-CD2 4.18Å; L370-Y431 HydrophobicContact CD1-CG 4.01Å
371	E	91.9	Very high	90.8	Very high	50 Å²	50	49.7 Å²	49.7	23%	0.234	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-45.8	177.2	-171.7	167	-139.6	0	0	111.4	W367 V368 L369 R374 D375	W367-E371 WeakPolarHBondContact CZ2-OE2 3.47Å; W367-E371 WeakPolarHBondContact O-CB 3.49Å; W367-E371 PolarHBondContact O-N 3.33Å; V368-E371 PolarHBondContact O-N 3.06Å; L369-E371 VanDerWaalsContact C-N 3.35Å; E371-R374 WeakPolarHBondContact O-CB 3.49Å; E371-R374 PolarHBondContact O-N 3.2Å; E371-R374 IonicContact OE1-NH2 2.72Å; E371-D375 PolarHBondContact O-N 3.37Å
372	I	93.4	Very high	90.8	Very high	30 Å²	30	50.2 Å²	50.2	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-45.7	176.4	-65.7	167.8	0	0	0	111.1	V368 L369 R374 D375 F376 L380 L385 M388 T389	V368-I372 HydrophobicContact CG1-CD1 4.04Å; V368-I372 WeakPolarHBondContact O-CG1 3.42Å; V368-I372 PolarHBondContact O-N 3.23Å; V368-I372 VanDerWaalsContact O-N 3.14Å; L369-I372 PolarHBondContact O-N 3.17Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 3.43Å; I372-D375 PolarHBondContact O-N 2.88Å; I372-F376 VanDerWaalsContact O-CB 3.29Å; I372-F376 WeakPolarHBondContact O-CB 3.39Å; I372-F376 PolarHBondContact O-N 3.32Å; I372-L380 HydrophobicContact CG2-CD1 3.87Å; I372-L385 HydrophobicContact CB-CD2 4.3Å; I372-L385 HydrophobicContact CD1-CD2 4.4Å; I372-L385 HydrophobicContact CG2-CD2 3.67Å; I372-M388 HydrophobicContact CD1-CE 4.43Å; I372-M388 HydrophobicContact CG1-CE 4.44Å; I372-M388 HydrophobicContact CG2-CE 3.84Å; I372-M388 HydrophobicContact CG2-SD 4.33Å; I372-T389 HydrophobicContact CD1-CG2 3.29Å
373	L	92.1	Very high	90.9	Very high	23 Å²	23	50.6 Å²	50.6	12%	0.12	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-27.5	-179.5	-70.5	173	0	0	0	113	L369 L370 L380 L400 M405 I415 V417 V422	L369-L373 WeakPolarHBondContact O-CB 3.38Å; L369-L373 WeakPolarHBondContact O-CG 3.34Å; L369-L373 PolarHBondContact O-N 3.23Å; L370-L373 PolarHBondContact O-N 3.13Å; L373-L380 HydrophobicContact CD2-CD1 3.98Å; L373-L400 HydrophobicContact CD1-CD2 4.1Å; L373-M405 HydrophobicContact CD1-SD 4.12Å; L373-I415 HydrophobicContact CD2-CG2 4.21Å; L373-V417 HydrophobicContact CD1-CG1 4.43Å; L373-V417 HydrophobicContact CD2-CG1 4.23Å; L373-V422 HydrophobicContact CB-CG1 4.47Å; L373-V422 HydrophobicContact CB-CG2 4.07Å
374	R	90.6	Very high	91.1	Very high	81 Å²	81	52.7 Å²	52.7	31%	0.306	27%	0.269	S	S	.	.	H	α-helix	trans	-68.8	-47.4	174.4	-178.4	-167.5	67	-151.4	-8.4	111.5	L370 E371 I372 R377 V422 E423 L426	L370-R374 WeakPolarHBondContact O-CB 3.33Å; L370-R374 PolarHBondContact O-N 2.94Å; E371-R374 WeakPolarHBondContact O-CB 3.49Å; E371-R374 PolarHBondContact O-N 3.2Å; E371-R374 IonicContact OE1-NH2 2.72Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 3.43Å; R374-R377 PolarHBondContact O-NH1 2.94Å; R374-V422 HydrophobicContact CB-CG1 3.93Å; R374-E423 WeakPolarHBondContact CD-OE1 3.19Å; R374-E423 WeakPolarHBondContact CG-OE1 3.43Å; R374-L426 HydrophobicContact CB-CD1 4.07Å; R374-L426 HydrophobicContact CG-CD1 4.24Å
375	D	86.3	Confident	91.1	Very high	95 Å²	95	52.3 Å²	52.3	51%	0.508	27%	0.268	S	S	.	.	H	α-helix	trans	-85	-25	-169.5	-65.3	-19.1	0	0	0	112.3	E371 I372	E371-D375 PolarHBondContact O-N 3.37Å; I372-D375 PolarHBondContact O-N 2.88Å
376	F	84.6	Confident	91.2	Very high	82 Å²	82	51.6 Å²	51.6	36%	0.36	27%	0.266	S	S	.	.			trans	-72.3	139.8	179.9	-158.1	-93.9	0	0	0	112.5	I372 L380	I372-F376 VanDerWaalsContact O-CB 3.29Å; I372-F376 WeakPolarHBondContact O-CB 3.39Å; I372-F376 PolarHBondContact O-N 3.32Å; F376-L380 HydrophobicContact CB-CD1 3.52Å; F376-L380 HydrophobicContact CB-CG 4.28Å; F376-L380 HydrophobicContact CD1-CD1 3.69Å; F376-L380 HydrophobicContact CD1-CD2 4.18Å; F376-L380 HydrophobicContact CD1-CG 3.46Å; F376-L380 VanDerWaalsContact CD1-CG 3.46Å; F376-L380 HydrophobicContact CD2-CD1 3.98Å; F376-L380 HydrophobicContact CD2-CD2 3.93Å; F376-L380 HydrophobicContact CD2-CG 4.01Å; F376-L380 HydrophobicContact CE1-CD1 4.36Å; F376-L380 HydrophobicContact CE1-CD2 4.05Å; F376-L380 HydrophobicContact CE1-CG 3.64Å; F376-L380 HydrophobicContact CE2-CD2 3.79Å; F376-L380 HydrophobicContact CE2-CG 4.17Å; F376-L380 HydrophobicContact CG-CD1 3.45Å; F376-L380 VanDerWaalsContact CG-CD1 3.45Å; F376-L380 HydrophobicContact CG-CD2 4.11Å; F376-L380 HydrophobicContact CG-CG 3.65Å; F376-L380 HydrophobicContact CZ-CD2 3.84Å; F376-L380 HydrophobicContact CZ-CG 3.98Å
377	R	77.6	Confident	91.3	Very high	204 Å²	204	57.8 Å²	57.8	77%	0.77	30%	0.295	S	S	*	.			trans	-120.1	98.4	174.7	-65.1	-69.7	-177.9	-96.7	-0.4	107.8	R374	R374-R377 PolarHBondContact O-NH1 2.94Å
378	G	79.9	Confident	91.4	Very high	66 Å²	66	60.9 Å²	60.9	68%	0.68	31%	0.312	S	S	*	.	S	Bend	trans	141.7	-163.8	-179.5	0	0	0	0	0	113.1
379	T	82.8	Confident	91.5	Very high	136 Å²	136	60.2 Å²	60.2	83%	0.834	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-89.4	119.4	177.2	50.7	0	0	0	0	110.7
380	L	90.5	Very high	91.6	Very high	27 Å²	27	60.4 Å²	60.4	14%	0.141	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-101.3	134.8	169.2	-83.5	164.6	0	0	0	110.3	I372 L373 F376 D384 L385 M388 I415	I372-L380 HydrophobicContact CG2-CD1 3.87Å; L373-L380 HydrophobicContact CD2-CD1 3.98Å; F376-L380 HydrophobicContact CB-CD1 3.52Å; F376-L380 HydrophobicContact CB-CG 4.28Å; F376-L380 HydrophobicContact CD1-CD1 3.69Å; F376-L380 HydrophobicContact CD1-CD2 4.18Å; F376-L380 HydrophobicContact CD1-CG 3.46Å; F376-L380 VanDerWaalsContact CD1-CG 3.46Å; F376-L380 HydrophobicContact CD2-CD1 3.98Å; F376-L380 HydrophobicContact CD2-CD2 3.93Å; F376-L380 HydrophobicContact CD2-CG 4.01Å; F376-L380 HydrophobicContact CE1-CD1 4.36Å; F376-L380 HydrophobicContact CE1-CD2 4.05Å; F376-L380 HydrophobicContact CE1-CG 3.64Å; F376-L380 HydrophobicContact CE2-CD2 3.79Å; F376-L380 HydrophobicContact CE2-CG 4.17Å; F376-L380 HydrophobicContact CG-CD1 3.45Å; F376-L380 VanDerWaalsContact CG-CD1 3.45Å; F376-L380 HydrophobicContact CG-CD2 4.11Å; F376-L380 HydrophobicContact CG-CG 3.65Å; F376-L380 HydrophobicContact CZ-CD2 3.84Å; F376-L380 HydrophobicContact CZ-CG 3.98Å; L380-D384 HydrophobicContact CD2-CB 3.87Å; L380-L385 HydrophobicContact CD1-CD2 4.18Å; L380-M388 HydrophobicContact CD2-SD 4.22Å; L380-I415 HydrophobicContact CB-CD1 4.35Å; L380-I415 WeakPolarHBondContact O-CD1 3.48Å
381	S	93.2	Very high	91.8	Very high	47 Å²	47	60.4 Å²	60.4	33%	0.329	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-94	162.4	167.5	76.6	0	0	0	0	111.6	K383 D384 L385	S381-K383 PolarHBondContact O-N 3.27Å; S381-K383 PolarHBondContact OG-N 2.79Å; S381-D384 VanDerWaalsContact CB-OD2 3.26Å; S381-D384 WeakPolarHBondContact CB-OD2 3.36Å; S381-D384 PolarHBondContact N-OD2 3.49Å; S381-D384 PolarHBondContact O-N 2.9Å; S381-D384 PolarHBondContact OG-N 3.02Å; S381-D384 VanDerWaalsContact OG-N 3.11Å; S381-D384 PolarHBondContact OG-OD1 2.71Å; S381-D384 PolarHBondContact OG-OD2 2.95Å; S381-L385 PolarHBondContact O-N 3.05Å; S381-L385 VanDerWaalsContact O-N 3.17Å
382	I	95	Very high	92.1	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-33.6	171.6	-60.2	-66.2	0	0	0	111	S386 Q393 I396 I397 L400 I415	I382-S386 WeakPolarHBondContact O-CB 3.2Å; I382-S386 PolarHBondContact O-N 3.21Å; I382-Q393 HydrophobicContact CG2-CB 3.81Å; I382-Q393 HydrophobicContact CG2-CG 3.98Å; I382-I396 HydrophobicContact CD1-CG2 3.82Å; I382-I396 HydrophobicContact CG2-CB 4.44Å; I382-I396 HydrophobicContact CG2-CG2 4.16Å; I382-I397 HydrophobicContact CD1-CG1 4.24Å; I382-I397 HydrophobicContact CG1-CG1 4.42Å; I382-I397 HydrophobicContact CG2-CD1 4.35Å; I382-I397 HydrophobicContact CG2-CG1 4.08Å; I382-L400 HydrophobicContact CD1-CD1 3.65Å; I382-I415 HydrophobicContact CD1-CD1 3.97Å; I382-I415 HydrophobicContact CD1-CG1 3.7Å; I382-I415 HydrophobicContact CG1-CG1 4.31Å
383	K	95.4	Very high	92.3	Very high	121 Å²	121	62.5 Å²	62.5	53%	0.526	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-41.8	177.7	-171.8	-179.3	177.9	-175.3	0	111.5	S381 S386 Q387	S381-K383 PolarHBondContact O-N 3.27Å; S381-K383 PolarHBondContact OG-N 2.79Å; K383-S386 WeakPolarHBondContact O-CB 3.29Å; K383-S386 PolarHBondContact O-N 2.95Å; K383-Q387 WeakPolarHBondContact O-CG 3.38Å; K383-Q387 PolarHBondContact O-N 3.24Å
384	D	94.9	Very high	92.5	Very high	58 Å²	58	67.2 Å²	67.2	31%	0.31	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-46.5	178.2	-54.1	-38.4	0	0	0	110.6	L380 S381 S386 Q387 M388	L380-D384 HydrophobicContact CD2-CB 3.87Å; S381-D384 VanDerWaalsContact CB-OD2 3.26Å; S381-D384 WeakPolarHBondContact CB-OD2 3.36Å; S381-D384 PolarHBondContact N-OD2 3.49Å; S381-D384 PolarHBondContact O-N 2.9Å; S381-D384 PolarHBondContact OG-N 3.02Å; S381-D384 VanDerWaalsContact OG-N 3.11Å; S381-D384 PolarHBondContact OG-OD1 2.71Å; S381-D384 PolarHBondContact OG-OD2 2.95Å; D384-S386 VanDerWaalsContact C-N 3.28Å; D384-S386 PolarHBondContact O-N 2.81Å; D384-Q387 PolarHBondContact O-N 3.3Å; D384-M388 VanDerWaalsContact O-CG 3.26Å; D384-M388 WeakPolarHBondContact O-CG 3.29Å; D384-M388 PolarHBondContact O-N 2.9Å
385	L	96.5	Very high	92.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-57.6	-42.2	174.8	-70.6	177.4	0	0	0	111.9	L369 I372 L380 S381 M388 T389 I396 L400 I415	L369-L385 HydrophobicContact CD2-CB 4.4Å; L369-L385 HydrophobicContact CD2-CD1 4.13Å; L369-L385 HydrophobicContact CD2-CD2 4.23Å; I372-L385 HydrophobicContact CB-CD2 4.3Å; I372-L385 HydrophobicContact CD1-CD2 4.4Å; I372-L385 HydrophobicContact CG2-CD2 3.67Å; L380-L385 HydrophobicContact CD1-CD2 4.18Å; S381-L385 PolarHBondContact O-N 3.05Å; S381-L385 VanDerWaalsContact O-N 3.17Å; L385-M388 PolarHBondContact O-N 3.34Å; L385-T389 WeakPolarHBondContact O-CB 3.34Å; L385-T389 WeakPolarHBondContact O-CG2 3.44Å; L385-T389 PolarHBondContact O-N 3.34Å; L385-T389 PolarHBondContact O-OG1 2.96Å; L385-I396 HydrophobicContact CB-CD1 3.82Å; L385-I396 HydrophobicContact CB-CG2 4.39Å; L385-I396 HydrophobicContact CD1-CG2 3.9Å; L385-L400 HydrophobicContact CD1-CD1 4.28Å; L385-I415 HydrophobicContact CD1-CD1 3.43Å; L385-I415 VanDerWaalsContact CD1-CD1 3.43Å; L385-I415 HydrophobicContact CG-CD1 4.29Å
386	S	97.9	Very high	93.4	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-42.2	178.6	-168.1	0	0	0	0	112	V346 I382 K383 D384 S390 I391 I396	V346-S386 WeakPolarHBondContact CG1-OG 3.2Å; I382-S386 WeakPolarHBondContact O-CB 3.2Å; I382-S386 PolarHBondContact O-N 3.21Å; K383-S386 WeakPolarHBondContact O-CB 3.29Å; K383-S386 PolarHBondContact O-N 2.95Å; D384-S386 VanDerWaalsContact C-N 3.28Å; D384-S386 PolarHBondContact O-N 2.81Å; S386-S390 VanDerWaalsContact O-CA 3.28Å; S386-S390 WeakPolarHBondContact O-CA 3.43Å; S386-S390 PolarHBondContact O-N 2.93Å; S386-I391 WeakPolarHBondContact CA-O 3.12Å; S386-I391 WeakPolarHBondContact CB-O 3.42Å; S386-I391 PolarHBondContact OG-O 3.42Å; S386-I396 VanDerWaalsContact CA-CD1 3.49Å
387	Q	96.3	Very high	93.9	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-67.9	-39	176.9	-71.4	179	-15.9	0	0	112.7	K383 D384	K383-Q387 WeakPolarHBondContact O-CG 3.38Å; K383-Q387 PolarHBondContact O-N 3.24Å; D384-Q387 PolarHBondContact O-N 3.3Å
388	M	95.6	Very high	94.8	Very high	92 Å²	92	49.2 Å²	49.2	45%	0.453	28%	0.278	S	S	.	.	H	α-helix	trans	-71	-31.8	179.5	-68.9	173	69.9	0	0	113.2	K341 I372 L380 D384 L385	K341-M388 WeakPolarHBondContact CE-O 3.11Å; I372-M388 HydrophobicContact CD1-CE 4.43Å; I372-M388 HydrophobicContact CG1-CE 4.44Å; I372-M388 HydrophobicContact CG2-CE 3.84Å; I372-M388 HydrophobicContact CG2-SD 4.33Å; L380-M388 HydrophobicContact CD2-SD 4.22Å; D384-M388 VanDerWaalsContact O-CG 3.26Å; D384-M388 WeakPolarHBondContact O-CG 3.29Å; D384-M388 PolarHBondContact O-N 2.9Å; L385-M388 PolarHBondContact O-N 3.34Å
389	T	97.5	Very high	95.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-110.3	-15.2	-169.1	63	0	0	0	0	114.3	V368 I372 L385 I391	V368-T389 HydrophobicContact CG1-CG2 3.64Å; I372-T389 HydrophobicContact CD1-CG2 3.29Å; L385-T389 WeakPolarHBondContact O-CB 3.34Å; L385-T389 WeakPolarHBondContact O-CG2 3.44Å; L385-T389 PolarHBondContact O-N 3.34Å; L385-T389 PolarHBondContact O-OG1 2.96Å; T389-I391 HydrophobicContact CG2-CD1 4.32Å; T389-I391 PolarHBondContact O-N 3.42Å; T389-I391 WeakPolarHBondContact OG1-CB 3.4Å; T389-I391 WeakPolarHBondContact OG1-CG1 3.24Å; T389-I391 PolarHBondContact OG1-N 2.95Å
390	S	98.4	Very high	96.1	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.035	21%	0.207	C	C	.	.			trans	59.4	11.4	-165.7	-70	0	0	0	0	114.6	Y337 K341 T345 V346 G347 S386	Y337-S390 WeakPolarHBondContact CE1-O 3.07Å; K341-S390 WeakPolarHBondContact CA-OG 3.28Å; K341-S390 WeakPolarHBondContact CG-OG 3.36Å; K341-S390 PolarHBondContact N-OG 2.64Å; T345-S390 WeakPolarHBondContact O-CB 3.27Å; T345-S390 PolarHBondContact O-OG 3.17Å; V346-S390 CarbonylContact C-O 3.43Å; V346-S390 VanDerWaalsContact CA-O 3.25Å; V346-S390 WeakPolarHBondContact CA-O 3.26Å; G347-S390 PolarHBondContact N-O 3.17Å; S386-S390 VanDerWaalsContact O-CA 3.28Å; S386-S390 WeakPolarHBondContact O-CA 3.43Å; S386-S390 PolarHBondContact O-N 2.93Å
391	I	98.5	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-77.6	139	173.2	-57.9	165.5	0	0	0	108.5	Y337 W365 V368 S386 T389 D395 I396	Y337-I391 HydrophobicContact CD1-CG1 4.07Å; Y337-I391 HydrophobicContact CE1-CB 4.23Å; Y337-I391 HydrophobicContact CE1-CG1 3.64Å; Y337-I391 HydrophobicContact CE2-CG1 4.38Å; W365-I391 HydrophobicContact CG-CD1 4.36Å; V368-I391 HydrophobicContact CG1-CD1 4.41Å; S386-I391 WeakPolarHBondContact CA-O 3.12Å; S386-I391 WeakPolarHBondContact CB-O 3.42Å; S386-I391 PolarHBondContact OG-O 3.42Å; T389-I391 HydrophobicContact CG2-CD1 4.32Å; T389-I391 PolarHBondContact O-N 3.42Å; T389-I391 WeakPolarHBondContact OG1-CB 3.4Å; T389-I391 WeakPolarHBondContact OG1-CG1 3.24Å; T389-I391 PolarHBondContact OG1-N 2.95Å; I391-D395 HydrophobicContact CG2-CB 3.6Å; I391-I396 HydrophobicContact CB-CD1 4.23Å; I391-I396 HydrophobicContact CB-CG1 4.02Å; I391-I396 HydrophobicContact CG2-CD1 4.45Å; I391-I396 HydrophobicContact CG2-CG1 3.77Å
392	T	98	Very high	96.2	Very high	29 Å²	29	43.9 Å²	43.9	18%	0.178	23%	0.227	C	C	.	.			trans	-62.5	150.2	177	76.6	0	0	0	0	111.3	G347 N394 D395 I396	G347-T392 WeakPolarHBondContact O-CG2 3.4Å; T392-N394 PolarHBondContact O-N 2.98Å; T392-D395 PolarHBondContact O-N 2.68Å; T392-D395 PolarHBondContact OG1-N 3.16Å; T392-D395 PolarHBondContact OG1-OD2 3.17Å; T392-I396 WeakPolarHBondContact O-CG1 3.36Å; T392-I396 PolarHBondContact O-N 3.2Å
393	Q	97.1	Very high	96.1	Very high	94 Å²	94	43.4 Å²	43.4	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-59.2	-34.3	177.7	-62.4	-174.2	35.2	0	0	112.1	I382 I396 I397	I382-Q393 HydrophobicContact CG2-CB 3.81Å; I382-Q393 HydrophobicContact CG2-CG 3.98Å; Q393-I396 PolarHBondContact O-N 3.11Å; Q393-I397 WeakPolarHBondContact O-CB 3.41Å; Q393-I397 WeakPolarHBondContact O-CD1 3.4Å; Q393-I397 WeakPolarHBondContact O-CG1 3.18Å; Q393-I397 PolarHBondContact O-N 3.42Å
394	N	96.1	Very high	95.9	Very high	123 Å²	123	44.3 Å²	44.3	66%	0.658	24%	0.236	S	C	*	.	H	α-helix	trans	-65.3	-43	177.6	-70.2	-19.9	0	0	0	112	T392 I396 I397 S398	T392-N394 PolarHBondContact O-N 2.98Å; N394-I396 VanDerWaalsContact C-N 3.34Å; N394-I397 PolarHBondContact O-N 2.85Å; N394-S398 WeakPolarHBondContact O-CB 3.13Å; N394-S398 PolarHBondContact O-N 2.87Å; N394-S398 PolarHBondContact O-OG 3.01Å
395	D	97.3	Very high	95.8	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.043	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-36	177.2	-62.1	-35.4	0	0	0	111	S348 W365 I391 T392 S398 T399	S348-D395 WeakPolarHBondContact CB-OD2 3.37Å; S348-D395 PolarHBondContact OG-OD2 2.93Å; W365-D395 HydrophobicContact CD2-CB 4.36Å; W365-D395 HydrophobicContact CE3-CB 4.3Å; W365-D395 HydrophobicContact CH2-CB 3.87Å; W365-D395 HydrophobicContact CZ2-CB 3.92Å; W365-D395 HydrophobicContact CZ3-CB 4.07Å; I391-D395 HydrophobicContact CG2-CB 3.6Å; T392-D395 PolarHBondContact O-N 2.68Å; T392-D395 PolarHBondContact OG1-N 3.16Å; T392-D395 PolarHBondContact OG1-OD2 3.17Å; D395-S398 WeakPolarHBondContact CA-OG 3.43Å; D395-S398 PolarHBondContact O-OG 3.12Å; D395-T399 VanDerWaalsContact O-CB 3.24Å; D395-T399 WeakPolarHBondContact O-CB 3.23Å; D395-T399 PolarHBondContact O-N 3.39Å; D395-T399 PolarHBondContact O-OG1 3.37Å
396	I	97.8	Very high	95.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-50.3	172.5	-66.9	166.3	0	0	0	110.8	L369 I382 L385 S386 I391 T392 Q393 N394 T399 L400	L369-I396 HydrophobicContact CD1-CB 4.49Å; L369-I396 HydrophobicContact CD1-CG1 4.47Å; L369-I396 HydrophobicContact CD1-CG2 4.13Å; L369-I396 HydrophobicContact CD2-CG1 4.29Å; L369-I396 HydrophobicContact CD2-CG2 4.47Å; I382-I396 HydrophobicContact CD1-CG2 3.82Å; I382-I396 HydrophobicContact CG2-CB 4.44Å; I382-I396 HydrophobicContact CG2-CG2 4.16Å; L385-I396 HydrophobicContact CB-CD1 3.82Å; L385-I396 HydrophobicContact CB-CG2 4.39Å; L385-I396 HydrophobicContact CD1-CG2 3.9Å; S386-I396 VanDerWaalsContact CA-CD1 3.49Å; I391-I396 HydrophobicContact CB-CD1 4.23Å; I391-I396 HydrophobicContact CB-CG1 4.02Å; I391-I396 HydrophobicContact CG2-CD1 4.45Å; I391-I396 HydrophobicContact CG2-CG1 3.77Å; T392-I396 WeakPolarHBondContact O-CG1 3.36Å; T392-I396 PolarHBondContact O-N 3.2Å; Q393-I396 PolarHBondContact O-N 3.11Å; N394-I396 VanDerWaalsContact C-N 3.34Å; I396-T399 PolarHBondContact O-N 3.29Å; I396-L400 HydrophobicContact CG2-CD1 3.8Å; I396-L400 HydrophobicContact CG2-CG 4.27Å; I396-L400 WeakPolarHBondContact O-CB 3.45Å; I396-L400 WeakPolarHBondContact O-CG 3.4Å; I396-L400 PolarHBondContact O-N 3.37Å
397	I	96.2	Very high	95.2	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-51	-178.9	-71.7	162.3	0	0	0	110.1	I382 Q393 N394 T399 L400 Q401 H413	I382-I397 HydrophobicContact CD1-CG1 4.24Å; I382-I397 HydrophobicContact CG1-CG1 4.42Å; I382-I397 HydrophobicContact CG2-CD1 4.35Å; I382-I397 HydrophobicContact CG2-CG1 4.08Å; Q393-I397 WeakPolarHBondContact O-CB 3.41Å; Q393-I397 WeakPolarHBondContact O-CD1 3.4Å; Q393-I397 WeakPolarHBondContact O-CG1 3.18Å; Q393-I397 PolarHBondContact O-N 3.42Å; N394-I397 PolarHBondContact O-N 2.85Å; I397-T399 VanDerWaalsContact C-N 3.31Å; I397-T399 PolarHBondContact O-N 2.69Å; I397-L400 PolarHBondContact O-N 3.39Å; I397-Q401 HydrophobicContact CG2-CG 4.26Å; I397-Q401 WeakPolarHBondContact O-CB 3.48Å; I397-Q401 VanDerWaalsContact O-CG 3.23Å; I397-Q401 WeakPolarHBondContact O-CG 3.36Å; I397-Q401 PolarHBondContact O-N 2.97Å; I397-H413 HydrophobicContact CD1-CB 4.31Å; I397-H413 HydrophobicContact CG1-CB 4.24Å
398	S	95.8	Very high	94.9	Very high	52 Å²	52	49.6 Å²	49.6	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-38.7	179.4	59.3	0	0	0	0	112.5	N394 D395 Q401 S402	N394-S398 WeakPolarHBondContact O-CB 3.13Å; N394-S398 PolarHBondContact O-N 2.87Å; N394-S398 PolarHBondContact O-OG 3.01Å; D395-S398 WeakPolarHBondContact CA-OG 3.43Å; D395-S398 PolarHBondContact O-OG 3.12Å; S398-Q401 PolarHBondContact O-N 3.3Å; S398-S402 PolarHBondContact O-N 3.37Å
399	T	95.9	Very high	94.6	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-50.2	175.3	-58.8	0	0	0	0	111.1	W365 L369 D395 I396 I397 Q401 S402 L403	W365-T399 HydrophobicContact CB-CG2 3.97Å; L369-T399 HydrophobicContact CD1-CG2 3.83Å; D395-T399 VanDerWaalsContact O-CB 3.24Å; D395-T399 WeakPolarHBondContact O-CB 3.23Å; D395-T399 PolarHBondContact O-N 3.39Å; D395-T399 PolarHBondContact O-OG1 3.37Å; I396-T399 PolarHBondContact O-N 3.29Å; I397-T399 VanDerWaalsContact C-N 3.31Å; I397-T399 PolarHBondContact O-N 2.69Å; T399-Q401 VanDerWaalsContact C-N 3.3Å; T399-Q401 PolarHBondContact O-N 2.98Å; T399-S402 PolarHBondContact O-N 3.04Å; T399-S402 VanDerWaalsContact O-N 3.12Å; T399-S402 PolarHBondContact O-OG 3.07Å; T399-L403 HydrophobicContact CG2-CD1 4.26Å; T399-L403 WeakPolarHBondContact O-CG 3.36Å; T399-L403 PolarHBondContact O-N 3.29Å; T399-L403 VanDerWaalsContact O-N 3.16Å
400	L	94.9	Very high	94.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-32.2	179.2	-66.4	177	0	0	0	112.5	L369 L373 I382 L385 I396 I397 L403 N404 M405 V406 I415	L369-L400 HydrophobicContact CD1-CD2 4.1Å; L369-L400 HydrophobicContact CD1-CG 4.13Å; L373-L400 HydrophobicContact CD1-CD2 4.1Å; I382-L400 HydrophobicContact CD1-CD1 3.65Å; L385-L400 HydrophobicContact CD1-CD1 4.28Å; I396-L400 HydrophobicContact CG2-CD1 3.8Å; I396-L400 HydrophobicContact CG2-CG 4.27Å; I396-L400 WeakPolarHBondContact O-CB 3.45Å; I396-L400 WeakPolarHBondContact O-CG 3.4Å; I396-L400 PolarHBondContact O-N 3.37Å; I397-L400 PolarHBondContact O-N 3.39Å; L400-L403 CarbonylContact O-C 3.54Å; L400-L403 PolarHBondContact O-N 3.47Å; L400-N404 PolarHBondContact O-N 3.1Å; L400-N404 VanDerWaalsContact O-N 3.11Å; L400-M405 HydrophobicContact CB-CB 4.4Å; L400-M405 HydrophobicContact CD2-CB 4.03Å; L400-M405 PolarHBondContact O-N 2.99Å; L400-V406 HydrophobicContact CB-CB 3.89Å; L400-V406 HydrophobicContact CB-CG1 3.87Å; L400-I415 HydrophobicContact CD1-CD1 4.15Å; L400-I415 HydrophobicContact CD1-CG1 4.04Å
401	Q	93.9	Very high	93.5	Very high	97 Å²	97	64.1 Å²	64.1	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-45.7	171.4	-77.4	172	-19	0	0	110.5	I397 S398 T399 L403 N404 V406	I397-Q401 HydrophobicContact CG2-CG 4.26Å; I397-Q401 WeakPolarHBondContact O-CB 3.48Å; I397-Q401 VanDerWaalsContact O-CG 3.23Å; I397-Q401 WeakPolarHBondContact O-CG 3.36Å; I397-Q401 PolarHBondContact O-N 2.97Å; S398-Q401 PolarHBondContact O-N 3.3Å; T399-Q401 VanDerWaalsContact C-N 3.3Å; T399-Q401 PolarHBondContact O-N 2.98Å; Q401-L403 PolarHBondContact O-N 2.94Å; Q401-N404 PolarHBondContact O-N 2.83Å; Q401-V406 HydrophobicContact CB-CG1 4.16Å; Q401-V406 HydrophobicContact CG-CG1 3.42Å; Q401-V406 VanDerWaalsContact CG-CG1 3.42Å
402	S	92.1	Very high	93	Very high	64 Å²	64	70.7 Å²	70.7	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-64.2	-25	177.8	78.5	0	0	0	0	113.7	S398 T399	S398-S402 PolarHBondContact O-N 3.37Å; T399-S402 PolarHBondContact O-N 3.04Å; T399-S402 VanDerWaalsContact O-N 3.12Å; T399-S402 PolarHBondContact O-OG 3.07Å
403	L	91.3	Very high	92.5	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.016	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1	176.4	-60.2	174.2	0	0	0	113.2	L370 T399 L400 Q401 M405 Y431	L370-L403 HydrophobicContact CD2-CD1 4.41Å; L370-L403 HydrophobicContact CG-CD1 4.31Å; T399-L403 HydrophobicContact CG2-CD1 4.26Å; T399-L403 WeakPolarHBondContact O-CG 3.36Å; T399-L403 PolarHBondContact O-N 3.29Å; T399-L403 VanDerWaalsContact O-N 3.16Å; L400-L403 CarbonylContact O-C 3.54Å; L400-L403 PolarHBondContact O-N 3.47Å; Q401-L403 PolarHBondContact O-N 2.94Å; L403-M405 VanDerWaalsContact C-N 3.27Å; L403-M405 HydrophobicContact CB-CB 4.47Å; L403-M405 HydrophobicContact CB-CE 4.39Å; L403-M405 HydrophobicContact CB-CG 3.9Å; L403-M405 HydrophobicContact CB-SD 4.11Å; L403-M405 HydrophobicContact CD1-SD 4.36Å; L403-M405 WeakPolarHBondContact O-CG 3.33Å; L403-M405 PolarHBondContact O-N 3.28Å; L403-Y431 HydrophobicContact CD2-CE2 4.43Å
404	N	91.9	Very high	92.2	Very high	141 Å²	141	71.2 Å²	71.2	75%	0.754	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.6	-172.9	-59	-61.6	0	0	0	114.1	L400 Q401	L400-N404 PolarHBondContact O-N 3.1Å; L400-N404 VanDerWaalsContact O-N 3.11Å; Q401-N404 PolarHBondContact O-N 2.83Å
405	M	92.6	Very high	92	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.331	C	S	.	.			trans	-109.4	9.3	-175.5	-65.3	-172.3	176.8	0	0	114.3	L370 L373 L400 L403 C416 V417 L421 V422 H425	L370-M405 HydrophobicContact CD2-CE 3.52Å; L370-M405 HydrophobicContact CD2-SD 3.96Å; L373-M405 HydrophobicContact CD1-SD 4.12Å; L400-M405 HydrophobicContact CB-CB 4.4Å; L400-M405 HydrophobicContact CD2-CB 4.03Å; L400-M405 PolarHBondContact O-N 2.99Å; L403-M405 VanDerWaalsContact C-N 3.27Å; L403-M405 HydrophobicContact CB-CB 4.47Å; L403-M405 HydrophobicContact CB-CE 4.39Å; L403-M405 HydrophobicContact CB-CG 3.9Å; L403-M405 HydrophobicContact CB-SD 4.11Å; L403-M405 HydrophobicContact CD1-SD 4.36Å; L403-M405 WeakPolarHBondContact O-CG 3.33Å; L403-M405 PolarHBondContact O-N 3.28Å; M405-C416 PolarHBondContact O-N 3.46Å; M405-V417 HydrophobicContact CB-CB 4.39Å; M405-V417 HydrophobicContact CB-CG2 4.47Å; M405-V417 HydrophobicContact CE-CG2 3.99Å; M405-V417 HydrophobicContact CG-CB 4.39Å; M405-V417 HydrophobicContact CG-CG2 3.95Å; M405-V417 HydrophobicContact SD-CB 4.46Å; M405-V417 HydrophobicContact SD-CG2 3.67Å; M405-L421 HydrophobicContact CE-CD2 4.19Å; M405-L421 HydrophobicContact CE-CG 3.98Å; M405-L421 HydrophobicContact CG-CD2 4.21Å; M405-V422 HydrophobicContact CE-CG2 4.49Å; M405-H425 HydrophobicContact CE-CB 4.49Å; M405-H425 VanDerWaalsContact CE-ND1 3.33Å; M405-H425 WeakPolarHBondContact CE-ND1 3.45Å
406	V	93.2	Very high	91.5	Very high	20 Å²	20	69 Å²	69	12%	0.121	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141	179.8	66.8	0	0	0	0	110.6	L400 Q401 H413 V414	L400-V406 HydrophobicContact CB-CB 3.89Å; L400-V406 HydrophobicContact CB-CG1 3.87Å; Q401-V406 HydrophobicContact CB-CG1 4.16Å; Q401-V406 HydrophobicContact CG-CG1 3.42Å; Q401-V406 VanDerWaalsContact CG-CG1 3.42Å; V406-H413 HydrophobicContact CG2-CB 3.84Å; V406-V414 WeakPolarHBondContact CA-O 3.46Å; V406-V414 WeakPolarHBondContact CG2-O 3.44Å
407	K	89.8	Confident	91.1	Very high	133 Å²	133	71.2 Å²	71.2	58%	0.578	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.7	175.6	-66.2	-177.2	-178.5	175.5	0	110	H413 V414 C416	K407-H413 WeakPolarHBondContact O-CA 3.33Å; K407-V414 PolarHBondContact N-O 3.43Å; K407-V414 PolarHBondContact O-N 2.82Å; K407-C416 HydrophobicContact CD-CB 3.99Å; K407-C416 HydrophobicContact CG-CB 4Å
408	Y	89.9	Confident	90.7	Very high	151 Å²	151	74 Å²	74	59%	0.592	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.2	172.7	-163.9	-104.8	0	0	0	109.6	G411 Q412 H413	Y408-G411 VanDerWaalsContact CZ-CA 3.49Å; Y408-G411 WeakPolarHBondContact OH-CA 3.48Å; Y408-G411 PolarHBondContact OH-O 3.29Å; Y408-Q412 WeakPolarHBondContact CA-O 3.26Å; Y408-H413 AromaticContact CD2-CE1 3.66Å; Y408-H413 AromaticContact CD2-ND1 3.91Å; Y408-H413 AromaticContact CD2-NE2 3.72Å; Y408-H413 AromaticContact CE2-CE1 3.78Å
409	W	87.8	Confident	90.2	Very high	173 Å²	173	76.4 Å²	76.4	66%	0.655	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	126	-177.5	-174.4	-106.1	0	0	0	110.5	G411 Q412 V414	W409-G411 PolarHBondContact O-N 2.91Å; W409-G411 VanDerWaalsContact O-N 3.13Å; W409-Q412 PolarHBondContact N-O 2.96Å; W409-Q412 PolarHBondContact O-N 3.14Å; W409-V414 HydrophobicContact CB-CG2 4.23Å
410	K	87.8	Confident	89.9	Confident	185 Å²	185	83.4 Å²	83.4	80%	0.804	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	41.6	178.8	-64.9	-175.4	175.2	-174.2	0	114.3
411	G	85.4	Confident	89.7	Confident	47 Å²	47	85.7 Å²	85.7	49%	0.485	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	3.3	179	0	0	0	0	0	115.2	Y408 W409	Y408-G411 VanDerWaalsContact CZ-CA 3.49Å; Y408-G411 WeakPolarHBondContact OH-CA 3.48Å; Y408-G411 PolarHBondContact OH-O 3.29Å; W409-G411 PolarHBondContact O-N 2.91Å; W409-G411 VanDerWaalsContact O-N 3.13Å
412	Q	87.2	Confident	89.4	Confident	139 Å²	139	81.1 Å²	81.1	65%	0.65	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	149	-177	-64.8	-170.8	-13.9	0	0	112.3	Y408 W409	Y408-Q412 WeakPolarHBondContact CA-O 3.26Å; W409-Q412 PolarHBondContact N-O 2.96Å; W409-Q412 PolarHBondContact O-N 3.14Å
413	H	89.5	Confident	89.2	Confident	66 Å²	66	82 Å²	82	31%	0.306	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.5	171.1	-72	91.9	0	0	0	109.7	I397 V406 K407 Y408	I397-H413 HydrophobicContact CD1-CB 4.31Å; I397-H413 HydrophobicContact CG1-CB 4.24Å; V406-H413 HydrophobicContact CG2-CB 3.84Å; K407-H413 WeakPolarHBondContact O-CA 3.33Å; Y408-H413 AromaticContact CD2-CE1 3.66Å; Y408-H413 AromaticContact CD2-ND1 3.91Å; Y408-H413 AromaticContact CD2-NE2 3.72Å; Y408-H413 AromaticContact CE2-CE1 3.78Å
414	V	90.1	Very high	89.1	Confident	67 Å²	67	86.6 Å²	86.6	41%	0.406	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.6	-178.8	-175.9	0	0	0	0	109.3	V406 K407 W409 C416	V406-V414 WeakPolarHBondContact CA-O 3.46Å; V406-V414 WeakPolarHBondContact CG2-O 3.44Å; K407-V414 PolarHBondContact N-O 3.43Å; K407-V414 PolarHBondContact O-N 2.82Å; W409-V414 HydrophobicContact CB-CG2 4.23Å; V414-C416 PolarHBondContact O-N 2.98Å
415	I	91.6	Very high	89	Confident	29 Å²	29	81.8 Å²	81.8	15%	0.149	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.5	176.1	-52.3	-177	0	0	0	108.2	L373 L380 I382 L385 L400 V417	L373-I415 HydrophobicContact CD2-CG2 4.21Å; L380-I415 HydrophobicContact CB-CD1 4.35Å; L380-I415 WeakPolarHBondContact O-CD1 3.48Å; I382-I415 HydrophobicContact CD1-CD1 3.97Å; I382-I415 HydrophobicContact CD1-CG1 3.7Å; I382-I415 HydrophobicContact CG1-CG1 4.31Å; L385-I415 HydrophobicContact CD1-CD1 3.43Å; L385-I415 VanDerWaalsContact CD1-CD1 3.43Å; L385-I415 HydrophobicContact CG-CD1 4.29Å; L400-I415 HydrophobicContact CD1-CD1 4.15Å; L400-I415 HydrophobicContact CD1-CG1 4.04Å; I415-V417 HydrophobicContact CG2-CG1 3.97Å
416	C	86.9	Confident	88.7	Confident	56 Å²	56	83.1 Å²	83.1	38%	0.378	41%	0.413	S	S	.	.			trans	-131.7	92.6	-177.9	-170.2	0	0	0	0	108.1	M405 K407 V414	M405-C416 PolarHBondContact O-N 3.46Å; K407-C416 HydrophobicContact CD-CB 3.99Å; K407-C416 HydrophobicContact CG-CB 4Å; V414-C416 PolarHBondContact O-N 2.98Å
417	V	88.8	Confident	88.4	Confident	47 Å²	47	89.8 Å²	89.8	29%	0.285	44%	0.44	S	S	.	.			trans	-140.6	144.9	-172.5	68.6	0	0	0	0	110.6	L373 M405 I415 L421 V422	L373-V417 HydrophobicContact CD1-CG1 4.43Å; L373-V417 HydrophobicContact CD2-CG1 4.23Å; M405-V417 HydrophobicContact CB-CB 4.39Å; M405-V417 HydrophobicContact CB-CG2 4.47Å; M405-V417 HydrophobicContact CE-CG2 3.99Å; M405-V417 HydrophobicContact CG-CB 4.39Å; M405-V417 HydrophobicContact CG-CG2 3.95Å; M405-V417 HydrophobicContact SD-CB 4.46Å; M405-V417 HydrophobicContact SD-CG2 3.67Å; I415-V417 HydrophobicContact CG2-CG1 3.97Å; V417-L421 HydrophobicContact CG2-CD2 4.42Å; V417-V422 HydrophobicContact CG2-CG2 3.43Å; V417-V422 VanDerWaalsContact CG2-CG2 3.43Å
418	T	87.5	Confident	88.2	Confident	81 Å²	81	85.8 Å²	85.8	50%	0.497	43%	0.429	S	S	.	.			trans	-106.3	150.2	171.6	67.1	0	0	0	0	109.8	K420 L421 V422	T418-K420 PolarHBondContact O-N 3.47Å; T418-L421 PolarHBondContact O-N 3.36Å; T418-L421 WeakPolarHBondContact OG1-CB 3.23Å; T418-L421 PolarHBondContact OG1-N 3.09Å; T418-V422 PolarHBondContact O-N 3.44Å
419	P	86.9	Confident	87.5	Confident	103 Å²	103	82.3 Å²	82.3	67%	0.669	43%	0.432	S	S	*	.	H	α-helix	trans	-54.3	-37.9	176.6	-28.1	35.5	0	0	0	113.1	L421 V422 E423	P419-L421 PolarHBondContact O-N 3.19Å; P419-V422 PolarHBondContact O-N 3.49Å; P419-E423 WeakPolarHBondContact O-CG 3.47Å; P419-E423 PolarHBondContact O-N 3.45Å; P419-E423 VanDerWaalsContact O-N 3.09Å
420	K	89.3	Confident	86.8	Confident	149 Å²	149	78.1 Å²	78.1	65%	0.648	42%	0.419	S	S	*	.	H	α-helix	trans	-59.7	-44.2	176.7	-173.5	-178.8	177.6	-172.8	0	112.2	T418 V422 E423 E424	T418-K420 PolarHBondContact O-N 3.47Å; K420-V422 VanDerWaalsContact C-N 3.34Å; K420-V422 PolarHBondContact O-N 3.3Å; K420-E423 PolarHBondContact O-N 3.17Å; K420-E424 WeakPolarHBondContact CE-OE1 3.13Å; K420-E424 WeakPolarHBondContact O-CG 3.36Å; K420-E424 PolarHBondContact O-N 3.31Å
421	L	89.2	Confident	86.4	Confident	48 Å²	48	70.6 Å²	70.6	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-36.7	-179.9	-172.9	65.9	0	0	0	111.9	M405 V417 T418 P419 H425	M405-L421 HydrophobicContact CE-CD2 4.19Å; M405-L421 HydrophobicContact CE-CG 3.98Å; M405-L421 HydrophobicContact CG-CD2 4.21Å; V417-L421 HydrophobicContact CG2-CD2 4.42Å; T418-L421 PolarHBondContact O-N 3.36Å; T418-L421 WeakPolarHBondContact OG1-CB 3.23Å; T418-L421 PolarHBondContact OG1-N 3.09Å; P419-L421 PolarHBondContact O-N 3.19Å; L421-H425 PolarHBondContact O-N 3.35Å; L421-H425 PolarHBondContact O-ND1 3.2Å
422	V	89.3	Confident	85.9	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.012	39%	0.39	C	S	.	.	H	α-helix	trans	-62.9	-48.7	174.9	-179.7	0	0	0	0	110.6	L370 L373 R374 M405 V417 T418 P419 K420 E424 H425 L426	L370-V422 HydrophobicContact CB-CG1 4.45Å; L370-V422 HydrophobicContact CD2-CG1 4.06Å; L370-V422 WeakPolarHBondContact O-CG1 3.38Å; L373-V422 HydrophobicContact CB-CG1 4.47Å; L373-V422 HydrophobicContact CB-CG2 4.07Å; R374-V422 HydrophobicContact CB-CG1 3.93Å; M405-V422 HydrophobicContact CE-CG2 4.49Å; V417-V422 HydrophobicContact CG2-CG2 3.43Å; V417-V422 VanDerWaalsContact CG2-CG2 3.43Å; T418-V422 PolarHBondContact O-N 3.44Å; P419-V422 PolarHBondContact O-N 3.49Å; K420-V422 VanDerWaalsContact C-N 3.34Å; K420-V422 PolarHBondContact O-N 3.3Å; V422-E424 VanDerWaalsContact C-N 3.34Å; V422-E424 PolarHBondContact O-N 3.23Å; V422-H425 PolarHBondContact O-N 2.96Å; V422-L426 HydrophobicContact CG1-CD1 3.95Å; V422-L426 HydrophobicContact CG1-CG 4.41Å; V422-L426 WeakPolarHBondContact O-CG 3.45Å; V422-L426 PolarHBondContact O-N 2.86Å
423	E	87.9	Confident	85.5	Confident	81 Å²	81	74.6 Å²	74.6	38%	0.379	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-38.8	178.7	-72.2	-62.7	151.9	0	0	112.7	R374 P419 K420 H425 L426 K427	R374-E423 WeakPolarHBondContact CD-OE1 3.19Å; R374-E423 WeakPolarHBondContact CG-OE1 3.43Å; P419-E423 WeakPolarHBondContact O-CG 3.47Å; P419-E423 PolarHBondContact O-N 3.45Å; P419-E423 VanDerWaalsContact O-N 3.09Å; K420-E423 PolarHBondContact O-N 3.17Å; E423-H425 VanDerWaalsContact C-N 3.34Å; E423-H425 PolarHBondContact O-N 2.81Å; E423-L426 PolarHBondContact O-N 3.19Å; E423-K427 WeakPolarHBondContact O-CG 3.48Å; E423-K427 PolarHBondContact O-N 3.06Å
424	E	89.4	Confident	85.2	Confident	100 Å²	100	72 Å²	72	47%	0.467	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-42.8	174.1	-77.8	173.3	-177.4	0	0	112	K420 V422	K420-E424 WeakPolarHBondContact CE-OE1 3.13Å; K420-E424 WeakPolarHBondContact O-CG 3.36Å; K420-E424 PolarHBondContact O-N 3.31Å; V422-E424 VanDerWaalsContact C-N 3.34Å; V422-E424 PolarHBondContact O-N 3.23Å
425	H	88.4	Confident	84.9	Confident	41 Å²	41	74 Å²	74	19%	0.19	39%	0.391	C	S	.	.	H	α-helix	trans	-66.4	-45.7	174.6	-75.7	84.2	0	0	0	111.6	L370 M405 L421 V422 E423 K427 S428 Y431	L370-H425 HydrophobicContact CD1-CB 3.72Å; L370-H425 HydrophobicContact CD2-CB 3.75Å; L370-H425 HydrophobicContact CG-CB 4.42Å; M405-H425 HydrophobicContact CE-CB 4.49Å; M405-H425 VanDerWaalsContact CE-ND1 3.33Å; M405-H425 WeakPolarHBondContact CE-ND1 3.45Å; L421-H425 PolarHBondContact O-N 3.35Å; L421-H425 PolarHBondContact O-ND1 3.2Å; V422-H425 PolarHBondContact O-N 2.96Å; E423-H425 VanDerWaalsContact C-N 3.34Å; E423-H425 PolarHBondContact O-N 2.81Å; H425-K427 PolarHBondContact O-N 3.11Å; H425-S428 WeakPolarHBondContact O-CB 3.17Å; H425-S428 PolarHBondContact O-N 3.26Å; H425-Y431 HydrophobicContact CB-CD2 4.43Å; H425-Y431 WeakPolarHBondContact O-CD2 3.49Å
426	L	86.6	Confident	84.9	Confident	27 Å²	27	74.5 Å²	74.5	14%	0.141	39%	0.394	C	S	.	.	H	α-helix	trans	-63.6	-24	-178.8	-74.3	174.9	0	0	0	113.8	L370 R374 V422 E423 S428	L370-L426 HydrophobicContact CB-CD2 3.66Å; L370-L426 HydrophobicContact CB-CG 4.04Å; L370-L426 HydrophobicContact CD1-CD2 4.26Å; R374-L426 HydrophobicContact CB-CD1 4.07Å; R374-L426 HydrophobicContact CG-CD1 4.24Å; V422-L426 HydrophobicContact CG1-CD1 3.95Å; V422-L426 HydrophobicContact CG1-CG 4.41Å; V422-L426 WeakPolarHBondContact O-CG 3.45Å; V422-L426 PolarHBondContact O-N 2.86Å; E423-L426 PolarHBondContact O-N 3.19Å; L426-S428 VanDerWaalsContact C-N 3.28Å; L426-S428 PolarHBondContact O-N 3.27Å
427	K	86.8	Confident	85.2	Confident	160 Å²	160	74.2 Å²	74.2	70%	0.696	39%	0.39	S	S	*	.	H	α-helix	trans	-70.1	-22.2	171.8	-74.3	173.1	-174.9	-179.9	0	113.4	E423 H425	E423-K427 WeakPolarHBondContact O-CG 3.48Å; E423-K427 PolarHBondContact O-N 3.06Å; H425-K427 PolarHBondContact O-N 3.11Å
428	S	85.2	Confident	85.6	Confident	49 Å²	49	73 Å²	73	34%	0.343	38%	0.383	S	S	.	.	S	Bend	trans	-64.6	135.4	177.1	178.8	0	0	0	0	111.2	H425 L426 Q430 Y431	H425-S428 WeakPolarHBondContact O-CB 3.17Å; H425-S428 PolarHBondContact O-N 3.26Å; L426-S428 VanDerWaalsContact C-N 3.28Å; L426-S428 PolarHBondContact O-N 3.27Å; S428-Q430 PolarHBondContact O-N 2.64Å; S428-Q430 PolarHBondContact OG-N 2.84Å; S428-Y431 PolarHBondContact O-N 3.17Å; S428-Y431 VanDerWaalsContact O-N 3.1Å
429	A	75.2	Confident	86	Confident	79 Å²	79	71.4 Å²	71.4	65%	0.653	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-55.7	-26.9	177.9	0	0	0	0	0	113.1	Y431	A429-Y431 VanDerWaalsContact C-N 3.33Å; A429-Y431 PolarHBondContact O-N 2.82Å
430	Q	73.8	Confident	86.4	Confident	85 Å²	85	70 Å²	70	40%	0.397	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-68	-29.3	-179.2	-173.7	-179.6	-5.6	0	0	113.8	S363 S428	S363-Q430 PolarHBondContact OG-O 2.83Å; S428-Q430 PolarHBondContact O-N 2.64Å; S428-Q430 PolarHBondContact OG-N 2.84Å
431	Y	79.1	Confident	86.8	Confident	26 Å²	26	68.9 Å²	68.9	10%	0.102	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-113.1	14.1	-172.6	-49.8	-57.3	0	0	0	112.7	S366 W367 L370 L403 H425 S428 A429	S366-Y431 VanDerWaalsContact CB-CE1 3.4Å; W367-Y431 VanDerWaalsContact CD1-O 3.26Å; L370-Y431 HydrophobicContact CD1-CD2 4.18Å; L370-Y431 HydrophobicContact CD1-CG 4.01Å; L403-Y431 HydrophobicContact CD2-CE2 4.43Å; H425-Y431 HydrophobicContact CB-CD2 4.43Å; H425-Y431 WeakPolarHBondContact O-CD2 3.49Å; S428-Y431 PolarHBondContact O-N 3.17Å; S428-Y431 VanDerWaalsContact O-N 3.1Å; A429-Y431 VanDerWaalsContact C-N 3.33Å; A429-Y431 PolarHBondContact O-N 2.82Å
432	K	74.3	Confident	87.1	Confident	132 Å²	132	68.1 Å²	68.1	57%	0.574	37%	0.368	S	S	*	.	S	Bend	trans	-59.2	147.4	171.6	-74.4	-174.4	176.4	-176.3	0	110.8
433	K	79.3	Confident	87.5	Confident	139 Å²	139	69 Å²	69	60%	0.604	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-49.7	129.1	173.7	-173.6	171.1	-176.9	170.1	0	109.8	W367 T437	W367-K433 HydrophobicContact CZ2-CG 3.97Å; K433-T437 HydrophobicContact CG-CG2 4.49Å
434	P	83.5	Confident	88	Confident	10 Å²	10	72.8 Å²	72.8	7%	0.065	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-57.9	143.6	176.4	-22.4	32.2	0	0	0	110.7	K330 W367 I436 T437	K330-P434 HydrophobicContact CD-CB 4.26Å; K330-P434 HydrophobicContact CD-CG 3.93Å; W367-P434 HydrophobicContact CD2-CG 3.97Å; W367-P434 HydrophobicContact CE3-CG 3.66Å; W367-P434 HydrophobicContact CH2-CG 3.86Å; W367-P434 HydrophobicContact CZ2-CG 4.17Å; W367-P434 HydrophobicContact CZ3-CG 3.59Å; P434-I436 PolarHBondContact O-N 3.42Å; P434-T437 HydrophobicContact CB-CG2 4.44Å
435	P	83.9	Confident	88.3	Confident	111 Å²	111	69.4 Å²	69.4	72%	0.721	37%	0.37	S	S	*	.	S	Bend	trans	-64.8	-27.3	177.8	26.4	-33.8	0	0	0	112.2
436	I	91.3	Very high	88.5	Confident	39 Å²	39	70.4 Å²	70.4	20%	0.2	39%	0.386	C	S	.	.	S	Bend	trans	-122.8	116.9	-179.6	-46.2	173.5	0	0	0	107.4	Y328 F331 P434	Y328-I436 HydrophobicContact CD1-CD1 3.76Å; Y328-I436 HydrophobicContact CE1-CD1 3.6Å; F331-I436 HydrophobicContact CB-CG2 4.5Å; F331-I436 HydrophobicContact CD2-CB 4.43Å; F331-I436 HydrophobicContact CD2-CG2 3.58Å; F331-I436 HydrophobicContact CE2-CG2 4.13Å; F331-I436 HydrophobicContact CG-CG2 4.27Å; P434-I436 PolarHBondContact O-N 3.42Å
437	T	94.3	Very high	88.6	Confident	49 Å²	49	70.1 Å²	70.1	30%	0.301	39%	0.386	S	S	.	.			trans	-116.6	149	177.7	57.5	0	0	0	0	110.5	W367 K433 P434	W367-T437 HydrophobicContact CH2-CG2 4.16Å; K433-T437 HydrophobicContact CG-CG2 4.49Å; P434-T437 HydrophobicContact CB-CG2 4.44Å
438	V	96.8	Very high	88.3	Confident	23 Å²	23	65.6 Å²	65.6	14%	0.139	37%	0.373	C	S	.	.			trans	-74.7	131.9	174.2	-175.7	0	0	0	0	109	Y241 F331 A334 F335 E338	Y241-V438 HydrophobicContact CD2-CG1 4.45Å; Y241-V438 HydrophobicContact CE2-CG1 3.86Å; F331-V438 HydrophobicContact CD2-CG2 3.73Å; F331-V438 HydrophobicContact CE1-CG2 4.43Å; F331-V438 HydrophobicContact CE2-CB 4.29Å; F331-V438 HydrophobicContact CE2-CG2 3.58Å; F331-V438 HydrophobicContact CG-CG2 4.27Å; F331-V438 HydrophobicContact CZ-CG2 3.95Å; A334-V438 HydrophobicContact CB-CG2 3.74Å; F335-V438 HydrophobicContact CB-CG2 4.04Å; F335-V438 HydrophobicContact CD2-CG1 3.96Å; F335-V438 HydrophobicContact CD2-CG2 4.19Å; E338-V438 HydrophobicContact CG-CB 4.23Å; E338-V438 HydrophobicContact CG-CG1 3.8Å
439	D	96.4	Very high	87.5	Confident	46 Å²	46	71.3 Å²	71.3	25%	0.246	39%	0.391	C	S	.	.			trans	-103.6	109.2	173.3	-167.7	-28.4	0	0	0	109.7	Y241 K243 V441 C442	Y241-D439 VanDerWaalsContact CE2-O 3.3Å; Y241-D439 WeakPolarHBondContact CE2-O 3.42Å; Y241-D439 PolarHBondContact OH-N 3.4Å; K243-D439 HydrophobicContact CD-CB 3.67Å; K243-D439 IonicContact NZ-OD2 2.79Å; K243-D439 PolarHBondContact NZ-OD2 3.23Å; D439-V441 PolarHBondContact O-N 2.92Å; D439-V441 VanDerWaalsContact O-N 3.14Å; D439-V441 WeakPolarHBondContact OD1-CB 3.44Å; D439-V441 PolarHBondContact OD1-N 3.11Å; D439-V441 VanDerWaalsContact OD1-N 3.12Å; D439-C442 HydrophobicContact CB-CB 4.32Å; D439-C442 WeakPolarHBondContact O-CB 3.46Å; D439-C442 PolarHBondContact O-N 3.46Å
440	S	94.6	Very high	86.9	Confident	74 Å²	74	75.3 Å²	75.3	52%	0.517	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24.7	-176.1	55.2	0	0	0	0	113	C442 L443	S440-C442 PolarHBondContact O-N 2.75Å; S440-L443 PolarHBondContact O-N 3.11Å
441	V	96.8	Very high	86.2	Confident	126 Å²	126	74.5 Å²	74.5	76%	0.764	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-67.2	-28.7	175.8	-177.6	0	0	0	0	111.5	D439	D439-V441 PolarHBondContact O-N 2.92Å; D439-V441 VanDerWaalsContact O-N 3.14Å; D439-V441 WeakPolarHBondContact OD1-CB 3.44Å; D439-V441 PolarHBondContact OD1-N 3.11Å; D439-V441 VanDerWaalsContact OD1-N 3.12Å
442	C	97.4	Very high	85.1	Confident	31 Å²	31	77.5 Å²	77.5	21%	0.209	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-85.2	-8	178.1	-62.6	0	0	0	0	113.2	Y241 R242 K243 D439 S440	Y241-C442 HydrophobicContact CD2-CB 3.98Å; Y241-C442 HydrophobicContact CE2-CB 3.68Å; R242-C442 WeakPolarHBondContact O-CB 3.48Å; K243-C442 HydrophobicContact CB-CB 4.32Å; D439-C442 HydrophobicContact CB-CB 4.32Å; D439-C442 WeakPolarHBondContact O-CB 3.46Å; D439-C442 PolarHBondContact O-N 3.46Å; S440-C442 PolarHBondContact O-N 2.75Å
443	L	97.8	Very high	83.7	Confident	21 Å²	21	75 Å²	75	11%	0.11	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-87.7	110.2	-179.8	-179.5	55.8	0	0	0	110.9	I240 Y241 F335 E338 L339 L342 S440 W445	I240-L443 HydrophobicContact CD1-CD1 4.26Å; Y241-L443 HydrophobicContact CD2-CB 4.16Å; F335-L443 HydrophobicContact CE1-CD1 4.47Å; F335-L443 HydrophobicContact CE2-CD1 3.82Å; F335-L443 HydrophobicContact CZ-CD1 3.52Å; E338-L443 HydrophobicContact CB-CD2 3.93Å; L339-L443 HydrophobicContact CD2-CD2 4.43Å; L342-L443 HydrophobicContact CD1-CD2 3.62Å; L342-L443 HydrophobicContact CD1-CG 4.11Å; S440-L443 PolarHBondContact O-N 3.11Å; L443-W445 HydrophobicContact CD1-CB 3.86Å; L443-W445 HydrophobicContact CG-CB 4.15Å
444	K	96.6	Very high	82.4	Confident	161 Å²	161	75.5 Å²	75.5	70%	0.7	40%	0.404	S	S	*	.			trans	-103.1	73.4	179.7	-61.8	178.9	-174.8	174.7	0	110.3	I240	I240-K444 PolarHBondContact O-N 3.15Å
445	W	97.1	Very high	80.7	Confident	28 Å²	28	79.3 Å²	79.3	11%	0.106	42%	0.423	C	S	.	.			trans	-140.4	149.9	-174.6	-171.1	86.9	0	0	0	112.6	I240 E250 L339 L342 E343 L443 P447	I240-W445 HydrophobicContact CD1-CG 4.35Å; E250-W445 PolarHBondContact OE1-NE1 3.31Å; L339-W445 HydrophobicContact CD2-CB 4.48Å; L339-W445 HydrophobicContact CD2-CD2 3.71Å; L339-W445 HydrophobicContact CD2-CE3 3.94Å; L339-W445 HydrophobicContact CD2-CG 3.96Å; L339-W445 HydrophobicContact CD2-CZ3 4.42Å; L342-W445 HydrophobicContact CB-CE3 3.84Å; L342-W445 HydrophobicContact CB-CZ3 3.74Å; L342-W445 HydrophobicContact CD1-CB 4.41Å; L342-W445 HydrophobicContact CD1-CE3 3.72Å; L342-W445 HydrophobicContact CD1-CZ3 4.46Å; L342-W445 HydrophobicContact CG-CE3 4.45Å; E343-W445 HydrophobicContact CG-CH2 3.57Å; E343-W445 HydrophobicContact CG-CZ3 3.91Å; L443-W445 HydrophobicContact CD1-CB 3.86Å; L443-W445 HydrophobicContact CG-CB 4.15Å; W445-P447 VanDerWaalsContact CH2-CA 3.49Å; W445-P447 HydrophobicContact CH2-CB 4.14Å; W445-P447 HydrophobicContact CH2-CG 4.13Å; W445-P447 HydrophobicContact CZ3-CB 4.3Å; W445-P447 HydrophobicContact CZ3-CG 3.8Å
446	A	91.1	Very high	78.8	Confident	63 Å²	63	78.4 Å²	78.4	52%	0.521	42%	0.42	S	S	.	.			trans	-141.2	148	172.6	0	0	0	0	0	109.9
447	P	88.9	Confident	76.6	Confident	20 Å²	20	84.9 Å²	84.9	13%	0.13	45%	0.446	C	S	.	.			trans	-57.1	143.3	178.8	-25.2	33.4	0	0	0	112.8	L342 E343 W445 Q452	L342-P447 VanDerWaalsContact O-CG 3.29Å; L342-P447 WeakPolarHBondContact O-CG 3.47Å; E343-P447 HydrophobicContact CG-CB 4.18Å; E343-P447 HydrophobicContact CG-CG 4.05Å; W445-P447 VanDerWaalsContact CH2-CA 3.49Å; W445-P447 HydrophobicContact CH2-CB 4.14Å; W445-P447 HydrophobicContact CH2-CG 4.13Å; W445-P447 HydrophobicContact CZ3-CB 4.3Å; W445-P447 HydrophobicContact CZ3-CG 3.8Å; P447-Q452 HydrophobicContact CB-CG 4.4Å; P447-Q452 PolarHBondContact O-NE2 3.04Å; P447-Q452 VanDerWaalsContact O-NE2 3.15Å
448	P	82.1	Confident	73.8	Confident	65 Å²	65	94.3 Å²	94.3	42%	0.422	48%	0.483	S	S	.	.			trans	-54.4	141.2	175.4	-25	32.8	0	0	0	112.1	H450 K451 Q452	P448-H450 PolarHBondContact O-N 3.12Å; P448-K451 PolarHBondContact O-N 3.19Å; P448-Q452 PolarHBondContact O-N 3.36Å
449	K	68.4	Low	72.6	Confident	170 Å²	170	97.9 Å²	97.9	74%	0.739	50%	0.5	S	S	*	.	H	α-helix	trans	-50.6	-37.4	-174.6	-68.5	-177.5	178.1	179.7	0	113.8	K451 Q452 V453	K449-K451 VanDerWaalsContact C-N 3.27Å; K449-K451 PolarHBondContact O-N 2.88Å; K449-Q452 WeakPolarHBondContact O-CB 3.49Å; K449-Q452 PolarHBondContact O-N 2.9Å; K449-Q452 VanDerWaalsContact O-N 3.12Å; K449-V453 PolarHBondContact O-N 2.84Å
450	H	62.4	Low	71.4	Confident	162 Å²	162	100.6 Å²	100.6	75%	0.75	51%	0.514	S	S	*	.	H	α-helix	trans	-63.1	-29.1	178.2	-67.2	-72.7	0	0	0	113.7	P448	P448-H450 PolarHBondContact O-N 3.12Å
451	K	59	Low	70.1	Confident	68 Å²	68	102.1 Å²	102.1	30%	0.296	51%	0.514	S	S	.	.	H	α-helix	trans	-78.8	-31.9	173.4	-67.8	-168.9	-178.7	-177.7	0	112.1	K306 E343 P448 K449 V453 K454 L455	K306-K451 WeakPolarHBondContact O-CE 3.35Å; E343-K451 IonicContact OE1-NZ 3.88Å; E343-K451 PolarHBondContact OE1-NZ 2.83Å; P448-K451 PolarHBondContact O-N 3.19Å; K449-K451 VanDerWaalsContact C-N 3.27Å; K449-K451 PolarHBondContact O-N 2.88Å; K451-V453 VanDerWaalsContact C-N 3.35Å; K451-V453 PolarHBondContact O-N 3.43Å; K451-K454 PolarHBondContact O-N 2.83Å; K451-L455 PolarHBondContact O-N 2.91Å
452	Q	54.3	Low	68.5	Low	90 Å²	90	100.7 Å²	100.7	42%	0.421	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-36.5	176.6	-62.5	-172.8	-5.1	0	0	112.5	P447 P448 K449 K454 L455 S456	P447-Q452 HydrophobicContact CB-CG 4.4Å; P447-Q452 PolarHBondContact O-NE2 3.04Å; P447-Q452 VanDerWaalsContact O-NE2 3.15Å; P448-Q452 PolarHBondContact O-N 3.36Å; K449-Q452 WeakPolarHBondContact O-CB 3.49Å; K449-Q452 PolarHBondContact O-N 2.9Å; K449-Q452 VanDerWaalsContact O-N 3.12Å; Q452-K454 VanDerWaalsContact C-N 3.31Å; Q452-K454 PolarHBondContact O-N 2.91Å; Q452-L455 PolarHBondContact O-N 2.93Å; Q452-L455 VanDerWaalsContact O-N 3.16Å; Q452-S456 PolarHBondContact O-N 2.76Å
453	V	45.7	Very low	66.7	Low	78 Å²	78	105.1 Å²	105.1	47%	0.473	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-29.5	177.5	179.6	0	0	0	0	112.8	K449 K451 S456	K449-V453 PolarHBondContact O-N 2.84Å; K451-V453 VanDerWaalsContact C-N 3.35Å; K451-V453 PolarHBondContact O-N 3.43Å; V453-S456 PolarHBondContact O-OG 3.13Å
454	K	51.2	Low	64.7	Low	151 Å²	151	110.7 Å²	110.7	66%	0.657	54%	0.544	S	S	*	.	H	α-helix	trans	-73.3	-32.7	172.9	-75.5	-177.6	178.6	173.4	0	111.8	K451 Q452	K451-K454 PolarHBondContact O-N 2.83Å; Q452-K454 VanDerWaalsContact C-N 3.31Å; Q452-K454 PolarHBondContact O-N 2.91Å
455	L	49.1	Very low	62.4	Low	90 Å²	90	107.1 Å²	107.1	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-73.6	-33.9	177.3	-75.6	157.9	0	0	0	112.4	K451 Q452 K457	K451-L455 PolarHBondContact O-N 2.91Å; Q452-L455 PolarHBondContact O-N 2.93Å; Q452-L455 VanDerWaalsContact O-N 3.16Å; L455-K457 VanDerWaalsContact C-N 3.25Å; L455-K457 PolarHBondContact O-N 3.07Å
456	S	44.3	Very low	59.7	Low	92 Å²	92	113.2 Å²	113.2	64%	0.643	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-3.1	178	66.1	0	0	0	0	114.7	Q452 V453	Q452-S456 PolarHBondContact O-N 2.76Å; V453-S456 PolarHBondContact O-OG 3.13Å
457	K	43.4	Very low	57.1	Low	174 Å²	174	117.3 Å²	117.3	76%	0.757	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	4.8	179.6	-76.5	-174.2	175.5	-175.6	0	113.4	L455	L455-K457 VanDerWaalsContact C-N 3.25Å; L455-K457 PolarHBondContact O-N 3.07Å
458	K	36	Very low	54.2	Low	248 Å²	248	126.2 Å²	126.2	100%	1.078	61%	0.61	S	S	*	*			trans	-113.4	0	167.3	-79.9	-174.9	173.8	-177.9	0	108.4

Retrieved 458 of 458 residues in 86.5 ms (Link to these results)

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