IF4E2_HUMAN Loading...

Eukaryotic translation initiation factor 4E type 2

Recognizes and binds the 7-methylguanosine-containing mRNA cap during an early step in the initiation. Acts as a repressor of translation initiation^1,2,3,4,5. In contrast to EIF4E, it is unable to bind eIF4G (EIF4G1, EIF4G2 or EIF4G3), suggesting that it acts by competing with EIF4E and block assembly of eIF4F at the cap (By similarity). In P-bodies, component of a complex that promotes miRNA-mediated translational repression⁶. Involved in virus-induced host response by mediating miRNA MIR34A-induced translational silencing which controls IFNB1 production by a negative feedback mechanism^7,8. Component of the 4EHP-GYF2 complex, a multiprotein complex that acts as a repressor of translation initiation^9,10. In association with GIGYF2, assists ribosome-associated quality control (RQC) by sequestering the mRNA cap, blocking ribosome initiation and decreasing the translational load on problematic messages. Part of a pathway that works in parallel to RQC-mediated degradation of the stalled nascent polypeptide. GIGYF2 and EIF4E2 work downstream and independently of ZNF598, which seems to work as a scaffold that can recruit them to faulty mRNA even if alternative recruitment mechanisms may exist¹¹. (Microbial infection) Upon SARS coronavirus-2/SARS-CoV-2 infection, the interaction with non-structural protein 2 (nsp2) with GIGYF2 enhances GIGYF2 binding to EIF4E2 and increases repression of translation initiation of genes involved in antiviral innate immune response such as IFNB1.

AlphaFold DB , UniProt , Accession O60573, Species HUMAN (Homo sapiens, Human), Gene EIF4E2, Length 245 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	46.7	Very low	240 Å²	240	167.5 Å²	167.5	100%	1.182	86%	0.858	S	S	*	*				0	107.1	0	-77.4	168	176.3	0	0	106.8	N3	M1-N3 PolarHBondContact O-N 3.41Å
2	N	39.7	Very low	46.3	Very low	167 Å²	167	167.8 Å²	167.8	89%	0.893	86%	0.862	S	S	*	*			trans	-78.3	117.2	-167.4	-72	-7.2	0	0	0	111.2
3	N	43.6	Very low	46.9	Very low	151 Å²	151	162.9 Å²	162.9	81%	0.807	85%	0.853	S	S	*	*			trans	-88.9	130.3	168.2	-89.4	-13.6	0	0	0	110.4	M1 F5	M1-N3 PolarHBondContact O-N 3.41Å; N3-F5 VanDerWaalsContact C-N 3.3Å; N3-F5 PolarHBondContact O-N 3.09Å; N3-F5 VanDerWaalsContact O-N 3.12Å
4	K	49.6	Very low	46.7	Very low	204 Å²	204	156.8 Å²	156.8	89%	0.887	85%	0.848	S	S	*	*	S	Bend	trans	-85.4	46	-170.7	-164.7	176.8	178.4	172.4	0	113.3
5	F	56.1	Low	46.4	Very low	199 Å²	199	156.6 Å²	156.6	87%	0.873	85%	0.847	S	S	*	*			trans	-130.7	30.9	-175.1	-95.4	-79.3	0	0	0	115	N3 A7	N3-F5 VanDerWaalsContact C-N 3.3Å; N3-F5 PolarHBondContact O-N 3.09Å; N3-F5 VanDerWaalsContact O-N 3.12Å; F5-A7 VanDerWaalsContact C-N 3.34Å
6	D	46.3	Very low	46.6	Very low	143 Å²	143	158.9 Å²	158.9	77%	0.765	85%	0.85	S	S	*	*			trans	-89.6	14.8	174.2	-90.9	-39.2	0	0	0	114.7
7	A	46.1	Very low	46.3	Very low	91 Å²	91	156.5 Å²	156.5	75%	0.752	84%	0.837	S	S	*	*			trans	-105.6	55.9	-174.1	0	0	0	0	0	113.2	F5	F5-A7 VanDerWaalsContact C-N 3.34Å
8	L	50.4	Low	46.1	Very low	179 Å²	179	156.1 Å²	156.1	94%	0.937	83%	0.829	S	S	*	*			trans	-155.3	68.9	161.1	-73.5	-176.3	0	0	0	109.3
9	K	44.8	Very low	45.8	Very low	165 Å²	165	154.4 Å²	154.4	72%	0.717	82%	0.82	S	S	*	*			trans	-123.7	140.5	162.7	-74.1	-176.8	179.9	172.4	0	107.6
10	D	46.8	Very low	45.7	Very low	141 Å²	141	154.1 Å²	154.1	75%	0.754	81%	0.814	S	S	*	*			trans	76.9	104.3	160.7	-45.2	-32.2	0	0	0	116.7
11	D	49.3	Very low	45.6	Very low	162 Å²	162	154.2 Å²	154.2	87%	0.866	81%	0.81	S	S	*	*				-175.2	95.6	122.2	-93.8	-20.2	0	0	0	109.7
12	D	41.6	Very low	45.6	Very low	171 Å²	171	149.1 Å²	149.1	91%	0.914	79%	0.788	S	S	*	*			trans	-112.6	103.3	165	-174.4	28.4	0	0	0	106.3
13	S	54.9	Low	45.8	Very low	105 Å²	105	145.9 Å²	145.9	73%	0.734	78%	0.778	S	S	*	*			trans	-143.1	118.3	172.4	47.8	0	0	0	0	111.2
14	G	43.8	Very low	45.7	Very low	77 Å²	77	144.3 Å²	144.3	79%	0.794	77%	0.774	S	S	*	*			trans	86.4	89	132.5	0	0	0	0	0	117.8
15	D	42.4	Very low	45.6	Very low	154 Å²	154	142.9 Å²	142.9	82%	0.824	77%	0.77	S	S	*	*			trans	-69.6	131.2	157.8	-146.5	1.1	0	0	0	109.5
16	H	49.3	Very low	45.1	Very low	194 Å²	194	141.5 Å²	141.5	90%	0.898	76%	0.764	S	S	*	*			trans	-147.8	121.9	157.8	-121.9	-52.2	0	0	0	110.8
17	D	41.4	Very low	44.8	Very low	118 Å²	118	141.6 Å²	141.6	63%	0.631	77%	0.765	S	S	*	*			trans	-99.9	151	-168.9	-139.9	7.1	0	0	0	110.8
18	Q	42.6	Very low	44.5	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.692	77%	0.766	S	S	*	*			trans	91.2	129.2	147.4	-65.4	168.9	39.3	0	0	123.6
19	N	40.3	Very low	44.1	Very low	124 Å²	124	139.7 Å²	139.7	66%	0.663	76%	0.756	S	S	*	*			trans	73.1	142.2	142.7	-70.5	15.4	0	0	0	118.4
20	E	43.4	Very low	43.9	Very low	149 Å²	149	139.5 Å²	139.5	70%	0.696	76%	0.755	S	S	*	*			cis	-170	153.5	15.8	-118.5	161.4	-150.1	0	0	109.6
21	E	44.5	Very low	43.7	Very low	156 Å²	156	141.2 Å²	141.2	73%	0.729	76%	0.759	S	S	*	*			trans	55.9	129.8	143.5	-69.4	-174.2	-177.2	0	0	126.6
22	N	41.7	Very low	43.1	Very low	134 Å²	134	142.6 Å²	142.6	72%	0.717	76%	0.757	S	S	*	*				90	110.6	129.8	-82.6	-29.4	0	0	0	124
23	S	43.2	Very low	43.1	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	75%	0.745	S	S	*	*				94.4	114.8	119.7	75.1	0	0	0	0	121.9
24	T	41.9	Very low	42.4	Very low	118 Å²	118	144.4 Å²	144.4	72%	0.724	76%	0.756	S	S	*	*			trans	65.8	118.7	135.8	38.8	0	0	0	0	124.1
25	Q	47.8	Very low	42.3	Very low	174 Å²	174	150.4 Å²	150.4	81%	0.813	76%	0.755	S	S	*	*				83.2	124.2	129.2	-75.2	-177.1	-5.9	0	0	122.3
26	K	44.4	Very low	42.2	Very low	171 Å²	171	149.9 Å²	149.9	74%	0.743	75%	0.751	S	S	*	*			trans	100.1	117.1	134.3	-92.8	-171.8	160.4	179	0	120.9
27	D	41.4	Very low	41.7	Very low	145 Å²	145	150.8 Å²	150.8	78%	0.775	75%	0.753	S	S	*	*			trans	55.6	120.3	133.5	-57.9	-23.7	0	0	0	120.1
28	G	38.5	Very low	41.3	Very low	76 Å²	76	152.5 Å²	152.5	78%	0.784	76%	0.762	S	S	*	*			trans	161.8	85	161.4	0	0	0	0	0	116.1
29	E	43.3	Very low	41.3	Very low	153 Å²	153	154.9 Å²	154.9	72%	0.715	77%	0.773	S	S	*	*			trans	12.7	136.1	149.4	-64.1	-162.8	142.1	0	0	123.2
30	K	40.4	Very low	41.2	Very low	162 Å²	162	153.9 Å²	153.9	70%	0.704	78%	0.776	S	S	*	*			trans	62.4	112	139	-65.2	166.4	-171.1	143.7	0	118.2
31	E	41.2	Very low	41.1	Very low	177 Å²	177	152.3 Å²	152.3	83%	0.827	78%	0.782	S	S	*	*				-179.3	126	107.9	-101	-176.8	153	0	0	113.6
32	K	37.9	Very low	41.3	Very low	191 Å²	191	149.4 Å²	149.4	83%	0.83	78%	0.778	S	S	*	*			trans	17.9	115.8	143.6	-73.7	171	171.5	173.4	0	118.1
33	T	41.4	Very low	41.7	Very low	110 Å²	110	152.8 Å²	152.8	68%	0.675	79%	0.787	S	S	*	*			trans	-155.2	83.1	135.7	-0.8	0	0	0	0	110.4	R35	T33-R35 HydrophobicContact CG2-CG 4.08Å; T33-R35 PolarHBondContact O-N 2.71Å
34	E	39	Very low	42.9	Very low	204 Å²	204	158.1 Å²	158.1	95%	0.953	79%	0.792	S	S	*	*			trans	-67.8	99.6	152.2	-74.9	-174.9	146.4	0	0	107
35	R	41.7	Very low	44.7	Very low	203 Å²	203	161.9 Å²	161.9	77%	0.766	80%	0.798	S	S	*	*			trans	-126.7	117.1	168.3	-83.2	-178	-177.4	172.9	1.6	109.6	T33	T33-R35 HydrophobicContact CG2-CG 4.08Å; T33-R35 PolarHBondContact O-N 2.71Å
36	D	42.2	Very low	46.7	Very low	142 Å²	142	157.3 Å²	157.3	76%	0.759	79%	0.79	S	S	*	*			trans	77.1	59.4	146.8	-52.5	-31.2	0	0	0	118.5	N38	D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 PolarHBondContact O-N 3.47Å
37	K	38.6	Very low	49.1	Very low	214 Å²	214	151.3 Å²	151.3	93%	0.93	77%	0.768	S	S	*	*			trans	-83.5	74.8	143.1	-76.9	-175.4	-179.9	175	0	109.6
38	N	32.9	Very low	51.8	Low	153 Å²	153	149.1 Å²	149.1	82%	0.818	76%	0.759	S	S	*	*			trans	-135.4	70.5	169.3	-112.8	-7	0	0	0	109.4	D36	D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 PolarHBondContact O-N 3.47Å
39	Q	42.6	Very low	54.6	Low	198 Å²	198	147.9 Å²	147.9	93%	0.925	74%	0.738	S	S	*	*			trans	-103.3	108.5	159.7	-92.5	-175.2	10.6	0	0	108.8	S41	Q39-S41 PolarHBondContact O-N 3.42Å
40	S	37.3	Very low	57.2	Low	103 Å²	103	141.6 Å²	141.6	72%	0.72	71%	0.714	S	S	*	*			trans	-55.2	115.4	179.5	52.3	0	0	0	0	111.7	S42	S40-S42 PolarHBondContact O-N 3.02Å
41	S	40.5	Very low	59.8	Low	117 Å²	117	141.2 Å²	141.2	82%	0.818	73%	0.728	S	S	*	*			trans	-77	65.9	159.2	50.1	0	0	0	0	109.2	Q39 K43	Q39-S41 PolarHBondContact O-N 3.42Å; S41-K43 PolarHBondContact O-N 2.98Å
42	S	48.6	Very low	62.5	Low	95 Å²	95	137.2 Å²	137.2	66%	0.664	73%	0.725	S	S	*	*			trans	-63.8	101	164.5	-74.7	0	0	0	0	107.5	S40 R44	S40-S42 PolarHBondContact O-N 3.02Å; S42-R44 VanDerWaalsContact C-N 3.3Å; S42-R44 PolarHBondContact O-N 3.18Å
43	K	51.2	Low	65.4	Low	205 Å²	205	130.9 Å²	130.9	89%	0.891	70%	0.699	S	S	*	*			trans	-51.9	96.3	169	-76.5	-177.4	178.4	178.4	0	108	S41 K45	S41-K43 PolarHBondContact O-N 2.98Å; K43-K45 PolarHBondContact O-N 2.97Å
44	R	67.4	Low	68.1	Low	209 Å²	209	131.3 Å²	131.3	79%	0.789	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-60.3	123.3	173.1	-70.3	-176.5	179.4	175.1	0.3	106.2	S42 A46	S42-R44 VanDerWaalsContact C-N 3.3Å; S42-R44 PolarHBondContact O-N 3.18Å; R44-A46 PolarHBondContact O-N 2.93Å
45	K	80	Confident	70.9	Confident	198 Å²	198	126.1 Å²	126.1	86%	0.861	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-56.1	137.2	173.3	-72.8	-176.5	177	-178.3	0	108.1	K43 V47	K43-K45 PolarHBondContact O-N 2.97Å; K45-V47 PolarHBondContact O-N 2.6Å
46	A	89.4	Confident	73.6	Confident	78 Å²	78	117.7 Å²	117.7	65%	0.645	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-55.5	135.6	173.7	0	0	0	0	0	109.4	R44 V48	R44-A46 PolarHBondContact O-N 2.93Å; A46-V48 PolarHBondContact O-N 3.48Å
47	V	95.9	Very high	76.3	Confident	44 Å²	44	117.2 Å²	117.2	27%	0.267	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-75.4	125.4	177	-176	0	0	0	0	108	K45 N59 T87 A89 Q93	K45-V47 PolarHBondContact O-N 2.6Å; V47-N59 PolarHBondContact O-ND2 3Å; V47-T87 HydrophobicContact CB-CG2 4.26Å; V47-T87 HydrophobicContact CG2-CG2 4.04Å; V47-A89 HydrophobicContact CG1-CB 4Å; V47-Q93 VanDerWaalsContact CG1-OE1 3.28Å
48	V	97.4	Very high	79.1	Confident	99 Å²	99	109.7 Å²	109.7	60%	0.6	61%	0.606	S	S	*	*			trans	-128.5	151.2	-179.4	-64.6	0	0	0	0	110	A46 Q93	A46-V48 PolarHBondContact O-N 3.48Å; V48-Q93 PolarHBondContact O-NE2 3Å
49	P	97.9	Very high	82.3	Confident	51 Å²	51	104.2 Å²	104.2	33%	0.331	58%	0.577	S	S	.	*			trans	-60.1	143.6	172.8	-22.3	34.4	0	0	0	111.9	E53 P55 A89	P49-E53 HydrophobicContact CB-CB 4.4Å; P49-P55 HydrophobicContact CB-CB 4.49Å; P49-P55 HydrophobicContact CG-CB 3.94Å; P49-A89 HydrophobicContact CG-CB 4.03Å
50	G	97	Very high	84.9	Confident	21 Å²	21	94.8 Å²	94.8	22%	0.216	53%	0.533	C	S	.	.			trans	-72.1	167.5	171.4	0	0	0	0	0	113.2	A52 E53	G50-A52 PolarHBondContact O-N 3.36Å; G50-E53 PolarHBondContact N-OE2 3.33Å; G50-E53 PolarHBondContact O-N 2.97Å; G50-E53 VanDerWaalsContact O-N 3.1Å
51	P	96.2	Very high	87.8	Confident	154 Å²	154	90.1 Å²	90.1	100%	1	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22	-171.1	-26.3	35	0	0	0	116.7
52	A	97.2	Very high	90.6	Very high	93 Å²	93	84.5 Å²	84.5	77%	0.769	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	19.2	-180	0	0	0	0	0	112	G50	G50-A52 PolarHBondContact O-N 3.36Å
53	E	98.5	Very high	93	Very high	58 Å²	58	81.1 Å²	81.1	27%	0.271	43%	0.433	S	S	.	.	S	Bend	trans	-93.2	149.3	179.1	-63.9	-176.8	-178.8	0	0	110.6	P49 G50 P55 S90 E92 Q93	P49-E53 HydrophobicContact CB-CB 4.4Å; G50-E53 PolarHBondContact N-OE2 3.33Å; G50-E53 PolarHBondContact O-N 2.97Å; G50-E53 VanDerWaalsContact O-N 3.1Å; E53-P55 WeakPolarHBondContact O-CD 3.18Å; E53-S90 VanDerWaalsContact OE2-CB 3.31Å; E53-S90 WeakPolarHBondContact OE2-CB 3.29Å; E53-S90 PolarHBondContact OE2-OG 3.41Å; E53-E92 WeakPolarHBondContact CA-OE2 3.46Å; E53-E92 HydrophobicContact CB-CB 4.49Å; E53-E92 HydrophobicContact CB-CG 4.47Å; E53-E92 VanDerWaalsContact CB-OE2 3.26Å; E53-E92 WeakPolarHBondContact CB-OE2 3.44Å; E53-E92 HydrophobicContact CG-CB 3.99Å; E53-E92 HydrophobicContact CG-CG 4.16Å; E53-Q93 WeakPolarHBondContact OE2-CG 3.39Å; E53-Q93 PolarHBondContact OE2-NE2 2.93Å
54	H	98.7	Very high	95.2	Very high	119 Å²	119	74.2 Å²	74.2	55%	0.551	40%	0.402	S	S	*	.			trans	-84.9	113.6	177.7	-63.5	82.1	0	0	0	109.3	S90 V91 E92	H54-S90 CarbonylContact O-C 3.48Å; H54-S90 WeakPolarHBondContact O-CA 3.48Å; H54-S90 VanDerWaalsContact O-CB 3.24Å; H54-S90 WeakPolarHBondContact O-CB 3.38Å; H54-V91 HydrophobicContact CB-CB 4.18Å; H54-V91 HydrophobicContact CB-CG2 3.99Å; H54-V91 PolarHBondContact O-N 3.39Å; H54-E92 IonicContact CE1-OE1 3.81Å; H54-E92 IonicContact CG-OE1 2.74Å; H54-E92 PolarHBondContact N-OE2 3.5Å; H54-E92 IonicContact ND1-OE1 2.7Å; H54-E92 PolarHBondContact ND1-OE1 3.36Å
55	P	98.5	Very high	96.5	Very high	95 Å²	95	64.3 Å²	64.3	62%	0.617	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	142.1	-176.9	28.6	-35.2	0	0	0	111.1	P49 E53	P49-P55 HydrophobicContact CB-CB 4.49Å; P49-P55 HydrophobicContact CG-CB 3.94Å; E53-P55 WeakPolarHBondContact O-CD 3.18Å
56	L	98.5	Very high	96.9	Very high	26 Å²	26	61.3 Å²	61.3	14%	0.136	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	158.1	167.2	-67	170	0	0	0	110.2	Y58 Y60 F88 A89 V91 L156	L56-Y58 WeakPolarHBondContact CB-O 3.31Å; L56-Y58 PolarHBondContact O-N 2.7Å; L56-Y60 HydrophobicContact CD1-CD2 4.47Å; L56-F88 HydrophobicContact CD1-CD2 3.56Å; L56-F88 HydrophobicContact CD1-CE2 3.48Å; L56-F88 VanDerWaalsContact CD1-CE2 3.48Å; L56-A89 PolarHBondContact N-O 3.41Å; L56-V91 HydrophobicContact CD2-CG2 3.91Å; L56-L156 HydrophobicContact CD1-CD2 4.26Å; L56-L156 HydrophobicContact CD2-CB 4.08Å
57	Q	98	Very high	96.6	Very high	131 Å²	131	61.8 Å²	61.8	61%	0.612	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	-34.5	175.6	-175.4	62.7	24.4	0	0	112.3	E158	Q57-E158 HydrophobicContact CB-CG 3.64Å; Q57-E158 HydrophobicContact CG-CG 4.05Å
58	Y	98.3	Very high	95.8	Very high	57 Å²	57	64.2 Å²	64.2	22%	0.224	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.4	177.2	-58	-80.1	0	0	0	109.5	L56 Y60 K117	L56-Y58 WeakPolarHBondContact CB-O 3.31Å; L56-Y58 PolarHBondContact O-N 2.7Å; Y58-Y60 WeakPolarHBondContact O-CD2 3.49Å; Y58-Y60 VanDerWaalsContact O-CE2 3.3Å; Y58-Y60 WeakPolarHBondContact O-CE2 3.2Å; Y58-K117 HydrophobicContact CD1-CD 4.21Å; Y58-K117 HydrophobicContact CD2-CD 4.11Å; Y58-K117 VanDerWaalsContact CE2-NZ 3.3Å; Y58-K117 HydrophobicContact CG-CD 3.94Å; Y58-K117 HydrophobicContact CG-CG 4.37Å
59	N	98.4	Very high	94.7	Very high	38 Å²	38	62.5 Å²	62.5	20%	0.203	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	147.3	163.3	-71.3	8.8	0	0	0	109.4	V47 T87 F88 A89 K117 E118	V47-N59 PolarHBondContact O-ND2 3Å; N59-T87 HydrophobicContact CB-CG2 4.3Å; N59-F88 WeakPolarHBondContact CA-O 3.29Å; N59-A89 WeakPolarHBondContact OD1-CA 3.07Å; N59-A89 WeakPolarHBondContact OD1-CB 3.34Å; N59-K117 CarbonylContact O-C 3.5Å; N59-K117 WeakPolarHBondContact O-CA 3.49Å; N59-E118 HydrophobicContact CB-CB 3.66Å; N59-E118 HydrophobicContact CB-CG 4.45Å; N59-E118 WeakPolarHBondContact CB-OE2 3.3Å; N59-E118 PolarHBondContact ND2-OE2 2.9Å; N59-E118 PolarHBondContact O-N 3.31Å
60	Y	98.7	Very high	93.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.5	177.7	-70.6	-98.3	0	0	0	111.3	L56 Y58 T87 F88 L115 F116 K117 M155 L156 E158	L56-Y60 HydrophobicContact CD1-CD2 4.47Å; Y58-Y60 WeakPolarHBondContact O-CD2 3.49Å; Y58-Y60 VanDerWaalsContact O-CE2 3.3Å; Y58-Y60 WeakPolarHBondContact O-CE2 3.2Å; Y60-T87 CarbonylContact O-C 3.58Å; Y60-T87 VanDerWaalsContact O-CA 3.25Å; Y60-T87 WeakPolarHBondContact O-CA 3.37Å; Y60-T87 WeakPolarHBondContact O-CG2 3.08Å; Y60-F88 HydrophobicContact CD2-CE2 4.4Å; Y60-F88 HydrophobicContact CG-CE2 4.47Å; Y60-F88 HydrophobicContact CG-CZ 4.43Å; Y60-F88 PolarHBondContact N-O 3.39Å; Y60-F88 WeakPolarHBondContact O-CD1 3.31Å; Y60-F88 PolarHBondContact O-N 2.96Å; Y60-L115 HydrophobicContact CD1-CG 4.27Å; Y60-F116 CarbonylContact C-O 3.58Å; Y60-F116 VanDerWaalsContact CA-O 3.31Å; Y60-F116 WeakPolarHBondContact CA-O 3.34Å; Y60-K117 HydrophobicContact CD1-CG 4.1Å; Y60-K117 HydrophobicContact CE1-CB 4.47Å; Y60-K117 HydrophobicContact CE1-CG 3.55Å; Y60-M155 HydrophobicContact CD1-CE 4.11Å; Y60-M155 HydrophobicContact CE1-CE 3.89Å; Y60-M155 HydrophobicContact CE1-CG 4.18Å; Y60-M155 HydrophobicContact CE1-SD 4.15Å; Y60-L156 HydrophobicContact CD1-CD2 3.99Å; Y60-L156 HydrophobicContact CD2-CD2 3.23Å; Y60-L156 HydrophobicContact CE1-CD2 4.11Å; Y60-L156 HydrophobicContact CE2-CD2 3.37Å; Y60-L156 HydrophobicContact CG-CD2 3.57Å; Y60-E158 PolarHBondContact OH-OE1 2.98Å
61	T	98.6	Very high	92.2	Very high	4 Å²	4	70.3 Å²	70.3	3%	0.025	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.9	178	-54.8	0	0	0	0	110	W63 Q84 G86 T87 F116	T61-W63 HydrophobicContact CG2-CD2 4.46Å; T61-W63 HydrophobicContact CG2-CZ2 4.25Å; T61-W63 PolarHBondContact O-NE1 3.44Å; T61-Q84 HydrophobicContact CG2-CB 4.37Å; T61-Q84 HydrophobicContact CG2-CG 4.07Å; T61-G86 WeakPolarHBondContact CA-O 3.39Å; T61-T87 PolarHBondContact OG1-OG1 3.39Å; T61-F116 PolarHBondContact N-O 3.38Å; T61-F116 PolarHBondContact O-N 3.39Å
62	F	98.6	Very high	91	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139	166.9	-87.6	-63.8	0	0	0	110.6	I85 G86 F88 F94 F97 Y98 M101 H114 L115 W148	F62-I85 HydrophobicContact CB-CB 3.89Å; F62-I85 HydrophobicContact CB-CD1 4.16Å; F62-I85 HydrophobicContact CB-CG2 4.44Å; F62-I85 PolarHBondContact O-N 2.95Å; F62-G86 PolarHBondContact N-O 3.06Å; F62-F88 HydrophobicContact CD2-CD1 4.22Å; F62-F88 AromaticContact CD2-CE1 3.63Å; F62-F88 HydrophobicContact CD2-CE1 3.63Å; F62-F88 HydrophobicContact CE2-CD1 4.41Å; F62-F88 AromaticContact CE2-CE1 3.62Å; F62-F88 HydrophobicContact CE2-CE1 3.62Å; F62-F88 HydrophobicContact CE2-CZ 4.3Å; F62-F94 HydrophobicContact CE2-CD2 4.11Å; F62-F94 HydrophobicContact CE2-CE2 4.15Å; F62-F94 HydrophobicContact CZ-CD2 4.31Å; F62-F94 AromaticContact CZ-CE2 3.9Å; F62-F94 HydrophobicContact CZ-CE2 3.9Å; F62-F97 HydrophobicContact CD2-CB 4.07Å; F62-F97 HydrophobicContact CE2-CB 4.11Å; F62-Y98 HydrophobicContact CZ-CD2 4.08Å; F62-M101 HydrophobicContact CD1-CE 3.83Å; F62-M101 HydrophobicContact CD1-SD 4.1Å; F62-M101 HydrophobicContact CD2-SD 3.88Å; F62-M101 HydrophobicContact CE1-CE 3.94Å; F62-M101 HydrophobicContact CE1-SD 4.03Å; F62-M101 HydrophobicContact CE2-SD 3.81Å; F62-M101 HydrophobicContact CG-CE 4.2Å; F62-M101 HydrophobicContact CG-SD 4.04Å; F62-M101 HydrophobicContact CZ-CE 4.39Å; F62-M101 HydrophobicContact CZ-SD 3.88Å; F62-H114 CarbonylContact C-O 3.51Å; F62-H114 WeakPolarHBondContact CA-O 3.42Å; F62-L115 HydrophobicContact CD1-CB 4.12Å; F62-L115 HydrophobicContact CD1-CD1 3.83Å; F62-L115 HydrophobicContact CD1-CG 4.47Å; F62-L115 HydrophobicContact CD2-CD1 4.19Å; F62-L115 HydrophobicContact CE1-CB 4.02Å; F62-L115 HydrophobicContact CE1-CD1 3.91Å; F62-L115 HydrophobicContact CE1-CD2 4.14Å; F62-L115 HydrophobicContact CE1-CG 4.25Å; F62-L115 HydrophobicContact CE2-CD1 4.26Å; F62-L115 HydrophobicContact CG-CD1 3.97Å; F62-L115 HydrophobicContact CZ-CD1 4.13Å; F62-L115 HydrophobicContact CZ-CD2 4.18Å; F62-W148 HydrophobicContact CE1-CZ2 4.17Å
63	W	98.2	Very high	89.8	Confident	23 Å²	23	68 Å²	68	9%	0.087	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.8	172.3	-48.7	70	0	0	0	110.8	T61 I82 K83 Q84 F113 H114 K121 P122	T61-W63 HydrophobicContact CG2-CD2 4.46Å; T61-W63 HydrophobicContact CG2-CZ2 4.25Å; T61-W63 PolarHBondContact O-NE1 3.44Å; W63-I82 HydrophobicContact CB-CD1 4.01Å; W63-I82 HydrophobicContact CB-CG1 3.97Å; W63-I82 HydrophobicContact CD2-CD1 4.46Å; W63-I82 HydrophobicContact CE3-CD1 4.19Å; W63-I82 HydrophobicContact CE3-CG1 4Å; W63-I82 HydrophobicContact CE3-CG2 4.37Å; W63-I82 HydrophobicContact CG-CD1 4.43Å; W63-I82 HydrophobicContact CZ3-CG2 4.47Å; W63-K83 CarbonylContact C-O 3.43Å; W63-K83 WeakPolarHBondContact CA-O 3.1Å; W63-Q84 HydrophobicContact CD2-CG 3.71Å; W63-Q84 HydrophobicContact CE3-CB 4.29Å; W63-Q84 HydrophobicContact CE3-CG 3.36Å; W63-Q84 HydrophobicContact CH2-CG 3.41Å; W63-Q84 VanDerWaalsContact CH2-CG 3.41Å; W63-Q84 HydrophobicContact CZ2-CG 3.7Å; W63-Q84 HydrophobicContact CZ3-CB 4.47Å; W63-Q84 HydrophobicContact CZ3-CG 3.22Å; W63-F113 WeakPolarHBondContact O-CA 3Å; W63-H114 HydrophobicContact CB-CB 4.02Å; W63-H114 PolarHBondContact N-O 3.49Å; W63-H114 PolarHBondContact O-N 3.4Å; W63-K121 HydrophobicContact CH2-CG 4.31Å; W63-P122 HydrophobicContact CB-CG 4.45Å; W63-P122 HydrophobicContact CD2-CG 4.11Å; W63-P122 HydrophobicContact CG-CG 4.04Å
64	Y	97.2	Very high	88.8	Confident	61 Å²	61	68.3 Å²	68.3	24%	0.239	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.5	173.5	172.6	-102	0	0	0	110.5	R66 K83 L107 S111 D112 F113	Y64-R66 HydrophobicContact CE1-CB 4.17Å; Y64-K83 PolarHBondContact N-O 2.88Å; Y64-K83 PolarHBondContact O-N 3.28Å; Y64-L107 HydrophobicContact CE2-CD1 4.43Å; Y64-L107 HydrophobicContact CE2-CD2 4.24Å; Y64-S111 PolarHBondContact OH-OG 2.81Å; Y64-D112 WeakPolarHBondContact CA-O 3.44Å; Y64-D112 WeakPolarHBondContact CD2-O 3.43Å; Y64-F113 AromaticContact CD2-CD1 3.87Å; Y64-F113 HydrophobicContact CD2-CD1 3.87Å; Y64-F113 AromaticContact CD2-CE1 3.64Å; Y64-F113 HydrophobicContact CD2-CE1 3.64Å; Y64-F113 HydrophobicContact CD2-CZ 4.38Å; Y64-F113 HydrophobicContact CE2-CE1 4.48Å; Y64-F113 HydrophobicContact CG-CE1 4.3Å
65	S	94.4	Very high	87.7	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.007	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145	169	58.7	0	0	0	0	110.7	S111 D112 H114	S65-S111 CarbonylContact O-C 3.58Å; S65-S111 WeakPolarHBondContact O-CA 3.17Å; S65-D112 PolarHBondContact N-O 2.9Å; S65-D112 PolarHBondContact O-N 3Å; S65-D112 WeakPolarHBondContact OG-CB 3.37Å; S65-D112 PolarHBondContact OG-OD2 2.88Å; S65-H114 PolarHBondContact OG-NE2 3.06Å
66	R	90.5	Very high	86.7	Confident	135 Å²	135	66.8 Å²	66.8	51%	0.509	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.2	169.4	-169.6	174.6	-171.7	-175.4	3.2	108.6	Y64	Y64-R66 HydrophobicContact CE1-CB 4.17Å
67	R	83	Confident	85.9	Confident	88 Å²	88	67 Å²	67	33%	0.332	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.3	-179.2	-56.9	-173.6	-170.9	-149.1	5.9	110.2	Y78 H110 D112	R67-Y78 VanDerWaalsContact CZ-CE2 3.48Å; R67-H110 PolarHBondContact N-O 2.92Å; R67-H110 WeakPolarHBondContact O-CB 3.49Å; R67-D112 IonicContact NE-OD2 2.83Å
68	T	79.1	Confident	85.2	Confident	95 Å²	95	61.6 Å²	61.6	58%	0.583	32%	0.322	S	S	*	.			trans	-90.8	119.9	165.4	-54.5	0	0	0	0	108.2	G70 R71	T68-G70 PolarHBondContact O-N 2.95Å; T68-R71 PolarHBondContact O-N 3.27Å
69	P	72.9	Confident	84.4	Confident	63 Å²	63	63 Å²	63	41%	0.409	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129.7	179.8	-26.8	35.6	0	0	0	111.4	H110 R231	P69-H110 HydrophobicContact CG-CB 4.41Å; P69-H110 WeakPolarHBondContact CG-CD2 3.42Å; P69-H110 WeakPolarHBondContact CG-NE2 3.15Å; P69-R231 PolarHBondContact O-NH2 3.12Å
70	G	70.9	Confident	83.7	Confident	48 Å²	48	68.4 Å²	68.4	50%	0.495	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-3.3	172.1	0	0	0	0	0	118.2	T68	T68-G70 PolarHBondContact O-N 2.95Å
71	R	72.2	Confident	83.2	Confident	188 Å²	188	72.3 Å²	72.3	71%	0.709	38%	0.376	S	S	*	.	S	Bend	trans	-75.6	129.5	165.4	-72.4	-165.9	178.1	-161.8	0.7	108.8	T68 T73	T68-R71 PolarHBondContact O-N 3.27Å; R71-T73 PolarHBondContact O-N 3.33Å; R71-T73 PolarHBondContact O-OG1 3.32Å
72	P	71.6	Confident	82.8	Confident	126 Å²	126	73.1 Å²	73.1	82%	0.818	38%	0.379	S	S	*	.			trans	-52	124.7	169.2	-24.4	33.8	0	0	0	109.4
73	T	71.4	Confident	82.7	Confident	73 Å²	73	79.9 Å²	79.9	45%	0.448	41%	0.409	S	S	.	.			trans	-99.2	104.4	179.4	-54.1	0	0	0	0	107.5	R71 Y78	R71-T73 PolarHBondContact O-N 3.33Å; R71-T73 PolarHBondContact O-OG1 3.32Å; T73-Y78 HydrophobicContact CG2-CD2 4.16Å; T73-Y78 HydrophobicContact CG2-CG 4.34Å
74	S	77.5	Confident	82.6	Confident	63 Å²	63	83.4 Å²	83.4	44%	0.441	43%	0.426	S	S	.	.			trans	-80.7	163.5	167.4	67.5	0	0	0	0	109.4	Q76 S77 Y78	S74-Q76 VanDerWaalsContact C-N 3.26Å; S74-Q76 PolarHBondContact O-N 3.17Å; S74-S77 PolarHBondContact N-OG 3.34Å; S74-S77 PolarHBondContact O-N 3.36Å; S74-S77 PolarHBondContact O-OG 2.94Å; S74-S77 PolarHBondContact OG-N 3.46Å; S74-S77 VanDerWaalsContact OG-N 3.15Å; S74-S77 PolarHBondContact OG-OG 3.18Å; S74-Y78 WeakPolarHBondContact O-CB 3.49Å; S74-Y78 PolarHBondContact O-N 2.94Å
75	S	75.9	Confident	82.6	Confident	43 Å²	43	84 Å²	84	30%	0.301	43%	0.433	S	S	.	.	H	α-helix	trans	-54.2	-45.3	173.6	178	0	0	0	0	111.5	Y78 E79 E125	S75-Y78 PolarHBondContact O-N 3.01Å; S75-E79 PolarHBondContact O-N 3.08Å; S75-E125 WeakPolarHBondContact CB-OE1 3.32Å; S75-E125 PolarHBondContact OG-OE1 3.41Å
76	Q	77.9	Confident	82.7	Confident	140 Å²	140	84.7 Å²	84.7	65%	0.654	44%	0.44	S	S	*	.	H	α-helix	trans	-65.3	-43.4	-179.4	-67.7	177.5	1.6	0	0	111.8	S74 Y78 E79 Q80	S74-Q76 VanDerWaalsContact C-N 3.26Å; S74-Q76 PolarHBondContact O-N 3.17Å; Q76-Y78 VanDerWaalsContact C-N 3.29Å; Q76-Y78 PolarHBondContact O-N 3.48Å; Q76-E79 PolarHBondContact O-N 2.99Å; Q76-Q80 VanDerWaalsContact O-CG 3.3Å; Q76-Q80 WeakPolarHBondContact O-CG 3.38Å; Q76-Q80 PolarHBondContact O-N 3.37Å
77	S	80.1	Confident	83.1	Confident	30 Å²	30	79.6 Å²	79.6	21%	0.21	42%	0.424	C	S	.	.	H	α-helix	trans	-69.8	-29.8	177.8	74.4	0	0	0	0	111.8	S74 N81	S74-S77 PolarHBondContact N-OG 3.34Å; S74-S77 PolarHBondContact O-N 3.36Å; S74-S77 PolarHBondContact O-OG 2.94Å; S74-S77 PolarHBondContact OG-N 3.46Å; S74-S77 VanDerWaalsContact OG-N 3.15Å; S74-S77 PolarHBondContact OG-OG 3.18Å; S77-N81 WeakPolarHBondContact O-CB 3.5Å; S77-N81 PolarHBondContact O-N 2.92Å; S77-N81 PolarHBondContact O-ND2 3.33Å
78	Y	83	Confident	83.8	Confident	18 Å²	18	75.4 Å²	75.4	7%	0.071	41%	0.408	C	S	.	.	H	α-helix	trans	-65.9	-48.6	172.4	-172.9	-117.3	0	0	0	112	R67 T73 S74 S75 Q76 Q80 N81 I82 H114 P122 M123	R67-Y78 VanDerWaalsContact CZ-CE2 3.48Å; T73-Y78 HydrophobicContact CG2-CD2 4.16Å; T73-Y78 HydrophobicContact CG2-CG 4.34Å; S74-Y78 WeakPolarHBondContact O-CB 3.49Å; S74-Y78 PolarHBondContact O-N 2.94Å; S75-Y78 PolarHBondContact O-N 3.01Å; Q76-Y78 VanDerWaalsContact C-N 3.29Å; Q76-Y78 PolarHBondContact O-N 3.48Å; Y78-Q80 VanDerWaalsContact C-N 3.28Å; Y78-Q80 PolarHBondContact O-N 3.16Å; Y78-N81 PolarHBondContact O-N 3.4Å; Y78-I82 PolarHBondContact O-N 3.15Å; Y78-I82 VanDerWaalsContact O-N 3.17Å; Y78-H114 PolarHBondContact OH-CE1 2.93Å; Y78-P122 PolarHBondContact OH-O 3.2Å; Y78-M123 HydrophobicContact CD1-CB 4.38Å; Y78-M123 HydrophobicContact CE1-CB 4.19Å
79	E	83.4	Confident	84.7	Confident	86 Å²	86	71 Å²	71	40%	0.402	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-36.9	179.5	-173.8	168.5	-155.8	0	0	112.2	S75 Q76 N81 I82 K121	S75-E79 PolarHBondContact O-N 3.08Å; Q76-E79 PolarHBondContact O-N 2.99Å; E79-N81 VanDerWaalsContact C-N 3.34Å; E79-N81 PolarHBondContact O-N 3.37Å; E79-I82 WeakPolarHBondContact O-CG2 3.46Å; E79-K121 IonicContact OE1-NZ 3.93Å; E79-K121 PolarHBondContact OE1-NZ 3.44Å
80	Q	83.4	Confident	86	Confident	152 Å²	152	68 Å²	68	71%	0.71	36%	0.361	S	S	*	.	H	α-helix	trans	-69.9	-28.5	175.2	-70.9	172	-1.2	0	0	113.6	Q76 Y78	Q76-Q80 VanDerWaalsContact O-CG 3.3Å; Q76-Q80 WeakPolarHBondContact O-CG 3.38Å; Q76-Q80 PolarHBondContact O-N 3.37Å; Y78-Q80 VanDerWaalsContact C-N 3.28Å; Y78-Q80 PolarHBondContact O-N 3.16Å
81	N	86.8	Confident	87.3	Confident	82 Å²	82	68.1 Å²	68.1	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-88.4	-12.2	-176.8	-79.6	-51.9	0	0	0	113.8	S77 Y78 E79	S77-N81 WeakPolarHBondContact O-CB 3.5Å; S77-N81 PolarHBondContact O-N 2.92Å; S77-N81 PolarHBondContact O-ND2 3.33Å; Y78-N81 PolarHBondContact O-N 3.4Å; E79-N81 VanDerWaalsContact C-N 3.34Å; E79-N81 PolarHBondContact O-N 3.37Å
82	I	92	Very high	88.6	Confident	20 Å²	20	62.4 Å²	62.4	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.1	178	-161.8	173.4	0	0	0	111.1	W63 Y78 E79 P122	W63-I82 HydrophobicContact CB-CD1 4.01Å; W63-I82 HydrophobicContact CB-CG1 3.97Å; W63-I82 HydrophobicContact CD2-CD1 4.46Å; W63-I82 HydrophobicContact CE3-CD1 4.19Å; W63-I82 HydrophobicContact CE3-CG1 4Å; W63-I82 HydrophobicContact CE3-CG2 4.37Å; W63-I82 HydrophobicContact CG-CD1 4.43Å; W63-I82 HydrophobicContact CZ3-CG2 4.47Å; Y78-I82 PolarHBondContact O-N 3.15Å; Y78-I82 VanDerWaalsContact O-N 3.17Å; E79-I82 WeakPolarHBondContact O-CG2 3.46Å; I82-P122 HydrophobicContact CD1-CB 4.27Å; I82-P122 HydrophobicContact CD1-CG 3.14Å; I82-P122 HydrophobicContact CG1-CG 4.49Å
83	K	94.7	Very high	89.8	Confident	143 Å²	143	57.8 Å²	57.8	62%	0.622	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.9	-174.3	-61.1	-176.5	-179.4	-176.7	0	110.1	W63 Y64	W63-K83 CarbonylContact C-O 3.43Å; W63-K83 WeakPolarHBondContact CA-O 3.1Å; Y64-K83 PolarHBondContact N-O 2.88Å; Y64-K83 PolarHBondContact O-N 3.28Å
84	Q	96.4	Very high	91.1	Very high	97 Å²	97	54.4 Å²	54.4	45%	0.453	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.2	167.8	-68.2	-175.8	-17.4	0	0	109.7	T61 W63	T61-Q84 HydrophobicContact CG2-CB 4.37Å; T61-Q84 HydrophobicContact CG2-CG 4.07Å; W63-Q84 HydrophobicContact CD2-CG 3.71Å; W63-Q84 HydrophobicContact CE3-CB 4.29Å; W63-Q84 HydrophobicContact CE3-CG 3.36Å; W63-Q84 HydrophobicContact CH2-CG 3.41Å; W63-Q84 VanDerWaalsContact CH2-CG 3.41Å; W63-Q84 HydrophobicContact CZ2-CG 3.7Å; W63-Q84 HydrophobicContact CZ3-CB 4.47Å; W63-Q84 HydrophobicContact CZ3-CG 3.22Å
85	I	96.8	Very high	92.2	Very high	73 Å²	73	56.3 Å²	56.3	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-47.1	172.4	-65.2	166.3	0	0	0	109.6	F62 F97 M101 F113	F62-I85 HydrophobicContact CB-CB 3.89Å; F62-I85 HydrophobicContact CB-CD1 4.16Å; F62-I85 HydrophobicContact CB-CG2 4.44Å; F62-I85 PolarHBondContact O-N 2.95Å; I85-F97 HydrophobicContact CG2-CD1 4.26Å; I85-M101 HydrophobicContact CD1-CE 4.06Å; I85-F113 HydrophobicContact CD1-CD1 4.1Å; I85-F113 HydrophobicContact CD1-CE1 3.89Å
86	G	97.2	Very high	93.2	Very high	15 Å²	15	63.6 Å²	63.6	16%	0.155	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	159.8	-179.3	0	0	0	0	0	112.8	T61 F62	T61-G86 WeakPolarHBondContact CA-O 3.39Å; F62-G86 PolarHBondContact N-O 3.06Å
87	T	98.4	Very high	94.2	Very high	29 Å²	29	59.7 Å²	59.7	18%	0.178	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.9	176.6	-59.8	0	0	0	0	109.5	V47 N59 Y60 T61 E118	V47-T87 HydrophobicContact CB-CG2 4.26Å; V47-T87 HydrophobicContact CG2-CG2 4.04Å; N59-T87 HydrophobicContact CB-CG2 4.3Å; Y60-T87 CarbonylContact O-C 3.58Å; Y60-T87 VanDerWaalsContact O-CA 3.25Å; Y60-T87 WeakPolarHBondContact O-CA 3.37Å; Y60-T87 WeakPolarHBondContact O-CG2 3.08Å; T61-T87 PolarHBondContact OG1-OG1 3.39Å; T87-E118 HydrophobicContact CG2-CB 4.34Å; T87-E118 HydrophobicContact CG2-CG 4.2Å
88	F	98.6	Very high	95	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.4	176.6	57.9	-92.1	0	0	0	111.2	L56 N59 Y60 F62 Q93 F94 F97 L115 L156	L56-F88 HydrophobicContact CD1-CD2 3.56Å; L56-F88 HydrophobicContact CD1-CE2 3.48Å; L56-F88 VanDerWaalsContact CD1-CE2 3.48Å; N59-F88 WeakPolarHBondContact CA-O 3.29Å; Y60-F88 HydrophobicContact CD2-CE2 4.4Å; Y60-F88 HydrophobicContact CG-CE2 4.47Å; Y60-F88 HydrophobicContact CG-CZ 4.43Å; Y60-F88 PolarHBondContact N-O 3.39Å; Y60-F88 WeakPolarHBondContact O-CD1 3.31Å; Y60-F88 PolarHBondContact O-N 2.96Å; F62-F88 HydrophobicContact CD2-CD1 4.22Å; F62-F88 AromaticContact CD2-CE1 3.63Å; F62-F88 HydrophobicContact CD2-CE1 3.63Å; F62-F88 HydrophobicContact CE2-CD1 4.41Å; F62-F88 AromaticContact CE2-CE1 3.62Å; F62-F88 HydrophobicContact CE2-CE1 3.62Å; F62-F88 HydrophobicContact CE2-CZ 4.3Å; F88-Q93 HydrophobicContact CB-CB 3.55Å; F88-F94 HydrophobicContact CD2-CB 3.67Å; F88-F94 HydrophobicContact CE1-CD2 4.12Å; F88-F94 HydrophobicContact CE2-CB 3.61Å; F88-F94 AromaticContact CE2-CD2 3.91Å; F88-F94 HydrophobicContact CE2-CD2 3.91Å; F88-F94 HydrophobicContact CE2-CG 4.17Å; F88-F94 HydrophobicContact CG-CB 4.23Å; F88-F94 HydrophobicContact CZ-CB 4.11Å; F88-F94 AromaticContact CZ-CD2 3.57Å; F88-F94 HydrophobicContact CZ-CD2 3.57Å; F88-F94 HydrophobicContact CZ-CG 4.28Å; F88-F97 HydrophobicContact CB-CD2 4.13Å; F88-F97 HydrophobicContact CB-CE2 4.08Å; F88-F97 HydrophobicContact CD1-CD2 4.01Å; F88-F97 HydrophobicContact CD1-CE2 4.45Å; F88-F97 HydrophobicContact CG-CD2 4.46Å; F88-L115 HydrophobicContact CE1-CD1 3.62Å; F88-L115 HydrophobicContact CZ-CD1 3.64Å; F88-L115 HydrophobicContact CZ-CD2 4.29Å; F88-L156 HydrophobicContact CE2-CD1 3.95Å; F88-L156 HydrophobicContact CE2-CD2 3.87Å; F88-L156 HydrophobicContact CZ-CD1 4.05Å; F88-L156 HydrophobicContact CZ-CD2 4.07Å
89	A	98.6	Very high	95.7	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	-6.8	-177.5	0	0	0	0	0	113.7	V47 P49 L56 N59	V47-A89 HydrophobicContact CG1-CB 4Å; P49-A89 HydrophobicContact CG-CB 4.03Å; L56-A89 PolarHBondContact N-O 3.41Å; N59-A89 WeakPolarHBondContact OD1-CA 3.07Å; N59-A89 WeakPolarHBondContact OD1-CB 3.34Å
90	S	98.7	Very high	96.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	165.7	-175.9	67.8	0	0	0	0	112.7	E53 H54 E92 Q93 F94	E53-S90 VanDerWaalsContact OE2-CB 3.31Å; E53-S90 WeakPolarHBondContact OE2-CB 3.29Å; E53-S90 PolarHBondContact OE2-OG 3.41Å; H54-S90 CarbonylContact O-C 3.48Å; H54-S90 WeakPolarHBondContact O-CA 3.48Å; H54-S90 VanDerWaalsContact O-CB 3.24Å; H54-S90 WeakPolarHBondContact O-CB 3.38Å; S90-E92 VanDerWaalsContact C-N 3.32Å; S90-E92 PolarHBondContact O-N 3.12Å; S90-Q93 PolarHBondContact O-N 2.9Å; S90-Q93 VanDerWaalsContact OG-CB 3.32Å; S90-Q93 WeakPolarHBondContact OG-CB 3.31Å; S90-Q93 WeakPolarHBondContact OG-CG 3.17Å; S90-Q93 PolarHBondContact OG-N 2.71Å; S90-Q93 VanDerWaalsContact OG-N 3.13Å; S90-F94 WeakPolarHBondContact O-CB 3.49Å; S90-F94 PolarHBondContact O-N 3.43Å
91	V	98.7	Very high	97.1	Very high	52 Å²	52	58.6 Å²	58.6	32%	0.315	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-40.7	176.2	176.5	0	0	0	0	111.2	H54 L56 F94 W95	H54-V91 HydrophobicContact CB-CB 4.18Å; H54-V91 HydrophobicContact CB-CG2 3.99Å; H54-V91 PolarHBondContact O-N 3.39Å; L56-V91 HydrophobicContact CD2-CG2 3.91Å; V91-F94 WeakPolarHBondContact O-CB 3.37Å; V91-F94 PolarHBondContact O-N 3.06Å; V91-W95 PolarHBondContact O-N 2.87Å
92	E	98.7	Very high	97.5	Very high	67 Å²	67	58.5 Å²	58.5	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-67.9	-42.9	179.5	-67.4	72.3	-163.6	0	0	111.1	E53 H54 S90 F94 W95 R96	E53-E92 WeakPolarHBondContact CA-OE2 3.46Å; E53-E92 HydrophobicContact CB-CB 4.49Å; E53-E92 HydrophobicContact CB-CG 4.47Å; E53-E92 VanDerWaalsContact CB-OE2 3.26Å; E53-E92 WeakPolarHBondContact CB-OE2 3.44Å; E53-E92 HydrophobicContact CG-CB 3.99Å; E53-E92 HydrophobicContact CG-CG 4.16Å; H54-E92 IonicContact CE1-OE1 3.81Å; H54-E92 IonicContact CG-OE1 2.74Å; H54-E92 PolarHBondContact N-OE2 3.5Å; H54-E92 IonicContact ND1-OE1 2.7Å; H54-E92 PolarHBondContact ND1-OE1 3.36Å; S90-E92 VanDerWaalsContact C-N 3.32Å; S90-E92 PolarHBondContact O-N 3.12Å; E92-F94 VanDerWaalsContact C-N 3.34Å; E92-W95 PolarHBondContact O-N 3.07Å; E92-R96 WeakPolarHBondContact O-CB 3.39Å; E92-R96 PolarHBondContact O-N 3.07Å
93	Q	98.6	Very high	97.8	Very high	29 Å²	29	61.6 Å²	61.6	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-39.7	174.9	-70.3	171.7	21.8	0	0	111.4	V47 V48 E53 F88 S90 R96 F97	V47-Q93 VanDerWaalsContact CG1-OE1 3.28Å; V48-Q93 PolarHBondContact O-NE2 3Å; E53-Q93 WeakPolarHBondContact OE2-CG 3.39Å; E53-Q93 PolarHBondContact OE2-NE2 2.93Å; F88-Q93 HydrophobicContact CB-CB 3.55Å; S90-Q93 PolarHBondContact O-N 2.9Å; S90-Q93 VanDerWaalsContact OG-CB 3.32Å; S90-Q93 WeakPolarHBondContact OG-CB 3.31Å; S90-Q93 WeakPolarHBondContact OG-CG 3.17Å; S90-Q93 PolarHBondContact OG-N 2.71Å; S90-Q93 VanDerWaalsContact OG-N 3.13Å; Q93-R96 WeakPolarHBondContact O-CB 3.45Å; Q93-R96 PolarHBondContact O-N 2.84Å; Q93-F97 VanDerWaalsContact O-CD2 3.23Å; Q93-F97 WeakPolarHBondContact O-CD2 3.15Å; Q93-F97 PolarHBondContact O-N 3.13Å
94	F	98.7	Very high	97.9	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.013	26%	0.263	C	S	.	.	H	α-helix	trans	-55.3	-53.4	171.5	162.7	-104.6	0	0	0	111.2	F62 F88 S90 V91 E92 R96 F97 Y98 I152 L153 L156	F62-F94 HydrophobicContact CE2-CD2 4.11Å; F62-F94 HydrophobicContact CE2-CE2 4.15Å; F62-F94 HydrophobicContact CZ-CD2 4.31Å; F62-F94 AromaticContact CZ-CE2 3.9Å; F62-F94 HydrophobicContact CZ-CE2 3.9Å; F88-F94 HydrophobicContact CD2-CB 3.67Å; F88-F94 HydrophobicContact CE1-CD2 4.12Å; F88-F94 HydrophobicContact CE2-CB 3.61Å; F88-F94 AromaticContact CE2-CD2 3.91Å; F88-F94 HydrophobicContact CE2-CD2 3.91Å; F88-F94 HydrophobicContact CE2-CG 4.17Å; F88-F94 HydrophobicContact CG-CB 4.23Å; F88-F94 HydrophobicContact CZ-CB 4.11Å; F88-F94 AromaticContact CZ-CD2 3.57Å; F88-F94 HydrophobicContact CZ-CD2 3.57Å; F88-F94 HydrophobicContact CZ-CG 4.28Å; S90-F94 WeakPolarHBondContact O-CB 3.49Å; S90-F94 PolarHBondContact O-N 3.43Å; V91-F94 WeakPolarHBondContact O-CB 3.37Å; V91-F94 PolarHBondContact O-N 3.06Å; E92-F94 VanDerWaalsContact C-N 3.34Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 2.95Å; F94-F97 PolarHBondContact O-N 3.35Å; F94-F97 VanDerWaalsContact O-N 3.11Å; F94-Y98 HydrophobicContact CE1-CD1 4.14Å; F94-Y98 HydrophobicContact CE1-CG 4.41Å; F94-Y98 HydrophobicContact CE2-CD1 4.42Å; F94-Y98 HydrophobicContact CE2-CD2 4.44Å; F94-Y98 AromaticContact CE2-CG 3.99Å; F94-Y98 HydrophobicContact CE2-CG 3.99Å; F94-Y98 AromaticContact CZ-CD1 3.66Å; F94-Y98 HydrophobicContact CZ-CD1 3.66Å; F94-Y98 HydrophobicContact CZ-CD2 4.39Å; F94-Y98 HydrophobicContact CZ-CE1 4.33Å; F94-Y98 AromaticContact CZ-CG 3.69Å; F94-Y98 HydrophobicContact CZ-CG 3.69Å; F94-Y98 WeakPolarHBondContact O-CB 3.25Å; F94-Y98 PolarHBondContact O-N 3.1Å; F94-I152 HydrophobicContact CE2-CD1 3.86Å; F94-I152 HydrophobicContact CE2-CG1 4.4Å; F94-I152 HydrophobicContact CZ-CD1 3.81Å; F94-I152 HydrophobicContact CZ-CG1 4.19Å; F94-L153 HydrophobicContact CE1-CD2 3.73Å; F94-L153 HydrophobicContact CZ-CD2 4.1Å; F94-L156 HydrophobicContact CB-CD1 4.31Å; F94-L156 HydrophobicContact CD1-CD1 4.12Å; F94-L156 HydrophobicContact CD2-CD1 3.36Å; F94-L156 HydrophobicContact CE1-CD1 4.31Å; F94-L156 HydrophobicContact CE2-CD1 3.56Å; F94-L156 HydrophobicContact CG-CD1 3.64Å; F94-L156 HydrophobicContact CZ-CD1 4.04Å
95	W	98.6	Very high	97.8	Very high	103 Å²	103	52 Å²	52	39%	0.39	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-31.1	-179.3	-79.8	113.2	0	0	0	112.5	V91 E92 F97 Y98 S99 L153	V91-W95 PolarHBondContact O-N 2.87Å; E92-W95 PolarHBondContact O-N 3.07Å; W95-F97 VanDerWaalsContact C-N 3.3Å; W95-F97 PolarHBondContact O-N 2.96Å; W95-Y98 HydrophobicContact CE3-CD1 4.01Å; W95-Y98 HydrophobicContact CH2-CD1 4.24Å; W95-Y98 HydrophobicContact CH2-CE1 4.44Å; W95-Y98 AromaticContact CZ3-CD1 3.61Å; W95-Y98 HydrophobicContact CZ3-CD1 3.61Å; W95-Y98 HydrophobicContact CZ3-CE1 4.1Å; W95-Y98 PolarHBondContact O-N 2.84Å; W95-S99 WeakPolarHBondContact O-CB 3.47Å; W95-S99 PolarHBondContact O-N 3.48Å; W95-S99 PolarHBondContact O-OG 2.93Å; W95-L153 HydrophobicContact CZ2-CD2 4.08Å
96	R	98	Very high	97.7	Very high	195 Å²	195	54 Å²	54	74%	0.736	27%	0.271	S	S	*	.	H	α-helix	trans	-59.7	-39.1	173.1	-173.2	178.8	-179.3	-177.9	1.1	112.2	E92 Q93 F94 H100	E92-R96 WeakPolarHBondContact O-CB 3.39Å; E92-R96 PolarHBondContact O-N 3.07Å; Q93-R96 WeakPolarHBondContact O-CB 3.45Å; Q93-R96 PolarHBondContact O-N 2.84Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 2.95Å; R96-H100 PolarHBondContact O-ND1 3.13Å
97	F	98.3	Very high	97.6	Very high	59 Å²	59	54.5 Å²	54.5	26%	0.259	27%	0.271	S	S	.	.	H	α-helix	trans	-74.3	-59.3	171.4	-73.5	-74.1	0	0	0	111	F62 I85 F88 Q93 F94 W95 S99 H100 M101	F62-F97 HydrophobicContact CD2-CB 4.07Å; F62-F97 HydrophobicContact CE2-CB 4.11Å; I85-F97 HydrophobicContact CG2-CD1 4.26Å; F88-F97 HydrophobicContact CB-CD2 4.13Å; F88-F97 HydrophobicContact CB-CE2 4.08Å; F88-F97 HydrophobicContact CD1-CD2 4.01Å; F88-F97 HydrophobicContact CD1-CE2 4.45Å; F88-F97 HydrophobicContact CG-CD2 4.46Å; Q93-F97 VanDerWaalsContact O-CD2 3.23Å; Q93-F97 WeakPolarHBondContact O-CD2 3.15Å; Q93-F97 PolarHBondContact O-N 3.13Å; F94-F97 PolarHBondContact O-N 3.35Å; F94-F97 VanDerWaalsContact O-N 3.11Å; W95-F97 VanDerWaalsContact C-N 3.3Å; W95-F97 PolarHBondContact O-N 2.96Å; F97-S99 VanDerWaalsContact C-N 3.35Å; F97-S99 PolarHBondContact O-N 3.37Å; F97-H100 PolarHBondContact O-N 3.38Å; F97-M101 WeakPolarHBondContact O-CG 3.34Å; F97-M101 PolarHBondContact O-N 3.41Å
98	Y	98.3	Very high	97.2	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-34.6	-164.6	-173.3	-117.4	0	0	0	113.7	F62 F94 W95 H100 M101 R103 W148 E149 I152	F62-Y98 HydrophobicContact CZ-CD2 4.08Å; F94-Y98 HydrophobicContact CE1-CD1 4.14Å; F94-Y98 HydrophobicContact CE1-CG 4.41Å; F94-Y98 HydrophobicContact CE2-CD1 4.42Å; F94-Y98 HydrophobicContact CE2-CD2 4.44Å; F94-Y98 AromaticContact CE2-CG 3.99Å; F94-Y98 HydrophobicContact CE2-CG 3.99Å; F94-Y98 AromaticContact CZ-CD1 3.66Å; F94-Y98 HydrophobicContact CZ-CD1 3.66Å; F94-Y98 HydrophobicContact CZ-CD2 4.39Å; F94-Y98 HydrophobicContact CZ-CE1 4.33Å; F94-Y98 AromaticContact CZ-CG 3.69Å; F94-Y98 HydrophobicContact CZ-CG 3.69Å; F94-Y98 WeakPolarHBondContact O-CB 3.25Å; F94-Y98 PolarHBondContact O-N 3.1Å; W95-Y98 HydrophobicContact CE3-CD1 4.01Å; W95-Y98 HydrophobicContact CH2-CD1 4.24Å; W95-Y98 HydrophobicContact CH2-CE1 4.44Å; W95-Y98 AromaticContact CZ3-CD1 3.61Å; W95-Y98 HydrophobicContact CZ3-CD1 3.61Å; W95-Y98 HydrophobicContact CZ3-CE1 4.1Å; W95-Y98 PolarHBondContact O-N 2.84Å; Y98-H100 PolarHBondContact O-N 2.61Å; Y98-M101 HydrophobicContact CD2-SD 4.37Å; Y98-M101 PolarHBondContact O-N 2.96Å; Y98-R103 PolarHBondContact OH-NH1 2.93Å; Y98-W148 AromaticContact CE2-CD1 3.97Å; Y98-W148 AromaticContact CE2-NE1 3.84Å; Y98-E149 HydrophobicContact CE1-CB 4.49Å; Y98-E149 HydrophobicContact CE1-CG 3.9Å; Y98-E149 VanDerWaalsContact CE1-OE2 3.26Å; Y98-E149 WeakPolarHBondContact CE1-OE2 3.48Å; Y98-E149 WeakPolarHBondContact OH-CA 3.44Å; Y98-E149 VanDerWaalsContact OH-CB 3.23Å; Y98-E149 WeakPolarHBondContact OH-CB 3.03Å; Y98-E149 PolarHBondContact OH-OE2 3.42Å; Y98-I152 HydrophobicContact CD2-CD1 3.93Å; Y98-I152 HydrophobicContact CE1-CD1 4.29Å; Y98-I152 HydrophobicContact CE2-CD1 3.56Å; Y98-I152 HydrophobicContact CG-CD1 4.45Å
99	S	97.7	Very high	96.8	Very high	73 Å²	73	59.7 Å²	59.7	51%	0.51	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.8	175.9	60.8	0	0	0	0	114.2	W95 F97	W95-S99 WeakPolarHBondContact O-CB 3.47Å; W95-S99 PolarHBondContact O-N 3.48Å; W95-S99 PolarHBondContact O-OG 2.93Å; F97-S99 VanDerWaalsContact C-N 3.35Å; F97-S99 PolarHBondContact O-N 3.37Å
100	H	97.1	Very high	96.5	Very high	159 Å²	159	62.2 Å²	62.2	74%	0.736	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-1.9	179	-62.3	88.6	0	0	0	113	R96 F97 Y98	R96-H100 PolarHBondContact O-ND1 3.13Å; F97-H100 PolarHBondContact O-N 3.38Å; Y98-H100 PolarHBondContact O-N 2.61Å
101	M	97.1	Very high	96.3	Very high	27 Å²	27	62.2 Å²	62.2	13%	0.133	32%	0.322	C	S	.	.	S	Bend	trans	-81.9	142.6	177.1	-73	174.2	68.3	0	0	111	F62 I85 F97 Y98 R103 F113	F62-M101 HydrophobicContact CD1-CE 3.83Å; F62-M101 HydrophobicContact CD1-SD 4.1Å; F62-M101 HydrophobicContact CD2-SD 3.88Å; F62-M101 HydrophobicContact CE1-CE 3.94Å; F62-M101 HydrophobicContact CE1-SD 4.03Å; F62-M101 HydrophobicContact CE2-SD 3.81Å; F62-M101 HydrophobicContact CG-CE 4.2Å; F62-M101 HydrophobicContact CG-SD 4.04Å; F62-M101 HydrophobicContact CZ-CE 4.39Å; F62-M101 HydrophobicContact CZ-SD 3.88Å; I85-M101 HydrophobicContact CD1-CE 4.06Å; F97-M101 WeakPolarHBondContact O-CG 3.34Å; F97-M101 PolarHBondContact O-N 3.41Å; Y98-M101 HydrophobicContact CD2-SD 4.37Å; Y98-M101 PolarHBondContact O-N 2.96Å; M101-R103 PolarHBondContact O-N 3.23Å; M101-F113 HydrophobicContact CE-CD1 3.63Å; M101-F113 HydrophobicContact CE-CD2 4.25Å; M101-F113 HydrophobicContact CE-CE1 3.48Å; M101-F113 VanDerWaalsContact CE-CE1 3.48Å; M101-F113 HydrophobicContact CE-CE2 4.09Å; M101-F113 HydrophobicContact CE-CG 4.04Å; M101-F113 HydrophobicContact CE-CZ 3.71Å
102	V	97	Very high	96.2	Very high	79 Å²	79	59.9 Å²	59.9	48%	0.479	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-58.6	135.1	165.7	-179.6	0	0	0	0	108.4	D106 L107 F113	V102-D106 HydrophobicContact CG1-CB 3.78Å; V102-L107 HydrophobicContact CB-CD2 4.21Å; V102-L107 HydrophobicContact CG1-CD2 3.99Å; V102-L107 HydrophobicContact CG1-CG 4.45Å; V102-F113 VanDerWaalsContact O-CE2 3.25Å; V102-F113 WeakPolarHBondContact O-CE2 3.3Å
103	R	97.5	Very high	96.2	Very high	85 Å²	85	57.2 Å²	57.2	32%	0.321	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-69.1	148	177.9	-59.5	-60.3	-166.4	149.7	4.1	109.8	Y98 M101 G105 D106 L107 E149	Y98-R103 PolarHBondContact OH-NH1 2.93Å; M101-R103 PolarHBondContact O-N 3.23Å; R103-G105 PolarHBondContact O-N 3.04Å; R103-G105 VanDerWaalsContact O-N 3.15Å; R103-D106 WeakPolarHBondContact CB-OD2 3.29Å; R103-D106 PolarHBondContact O-N 2.83Å; R103-L107 PolarHBondContact O-N 3Å; R103-E149 IonicContact CZ-OE2 3.25Å; R103-E149 IonicContact NH1-OE2 3.7Å; R103-E149 PolarHBondContact NH1-OE2 2.81Å; R103-E149 IonicContact NH2-OE2 2.85Å; R103-E149 PolarHBondContact NH2-OE2 3.18Å
104	P	96.2	Very high	96.2	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-53.4	-38.8	179.8	-25.8	31.8	0	0	0	113.8	D106 L107 F113 A144 W148 V171 V173	P104-D106 PolarHBondContact O-N 3.49Å; P104-L107 WeakPolarHBondContact O-CB 3.45Å; P104-L107 PolarHBondContact O-N 2.81Å; P104-F113 HydrophobicContact CG-CD2 4.26Å; P104-A144 HydrophobicContact CB-CB 4.39Å; P104-W148 HydrophobicContact CG-CB 3.95Å; P104-W148 VanDerWaalsContact CG-CD1 3.45Å; P104-W148 HydrophobicContact CG-CG 3.76Å; P104-V171 HydrophobicContact CB-CG1 4.05Å; P104-V171 HydrophobicContact CB-CG2 3.83Å; P104-V171 HydrophobicContact CG-CG1 3.82Å; P104-V171 HydrophobicContact CG-CG2 4.28Å; P104-V173 HydrophobicContact CB-CG2 4.38Å; P104-V173 WeakPolarHBondContact O-CG2 3.31Å
105	G	94.5	Very high	96.2	Very high	37 Å²	37	55.9 Å²	55.9	38%	0.381	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64	-19.8	178	0	0	0	0	0	115	R103 S145	R103-G105 PolarHBondContact O-N 3.04Å; R103-G105 VanDerWaalsContact O-N 3.15Å; G105-S145 PolarHBondContact N-OG 3.37Å
106	D	95.6	Very high	96.2	Very high	115 Å²	115	51 Å²	51	62%	0.615	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-100.5	-2.6	-178.5	-54.3	-37.7	0	0	0	112.3	V102 R103 P104	V102-D106 HydrophobicContact CG1-CB 3.78Å; R103-D106 WeakPolarHBondContact CB-OD2 3.29Å; R103-D106 PolarHBondContact O-N 2.83Å; P104-D106 PolarHBondContact O-N 3.49Å
107	L	94.4	Very high	96.3	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.141	24%	0.238	C	C	.	.			trans	-70.5	143.9	174.1	-69.1	176.9	0	0	0	110.9	Y64 V102 R103 P104 F113 V173	Y64-L107 HydrophobicContact CE2-CD1 4.43Å; Y64-L107 HydrophobicContact CE2-CD2 4.24Å; V102-L107 HydrophobicContact CB-CD2 4.21Å; V102-L107 HydrophobicContact CG1-CD2 3.99Å; V102-L107 HydrophobicContact CG1-CG 4.45Å; R103-L107 PolarHBondContact O-N 3Å; P104-L107 WeakPolarHBondContact O-CB 3.45Å; P104-L107 PolarHBondContact O-N 2.81Å; L107-F113 HydrophobicContact CD1-CD2 3.81Å; L107-F113 HydrophobicContact CD1-CE2 3.55Å; L107-F113 HydrophobicContact CD1-CZ 4.1Å; L107-F113 HydrophobicContact CD2-CE2 4.14Å; L107-F113 HydrophobicContact CD2-CZ 4.05Å; L107-F113 HydrophobicContact CG-CE2 4.07Å; L107-F113 HydrophobicContact CG-CZ 4.49Å; L107-V173 HydrophobicContact CB-CG2 4.21Å; L107-V173 HydrophobicContact CD1-CG2 4.1Å
108	T	90.8	Very high	96.2	Very high	97 Å²	97	43.7 Å²	43.7	60%	0.595	25%	0.246	S	C	*	.			trans	-101.6	154.6	175.9	64.4	0	0	0	0	111.9	S111	T108-S111 PolarHBondContact O-OG 2.78Å
109	G	89.5	Confident	96.1	Very high	41 Å²	41	47 Å²	47	42%	0.423	28%	0.281	S	S	.	.	S	Bend	trans	66.8	-162.6	178.8	0	0	0	0	0	114	S111	G109-S111 PolarHBondContact O-N 2.96Å
110	H	92.6	Very high	96.2	Very high	54 Å²	54	44.5 Å²	44.5	25%	0.25	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	89.4	177.6	-72.4	-126.1	0	0	0	109.2	R67 P69 V173 R174	R67-H110 PolarHBondContact N-O 2.92Å; R67-H110 WeakPolarHBondContact O-CB 3.49Å; P69-H110 HydrophobicContact CG-CB 4.41Å; P69-H110 WeakPolarHBondContact CG-CD2 3.42Å; P69-H110 WeakPolarHBondContact CG-NE2 3.15Å; H110-V173 WeakPolarHBondContact CA-O 3.32Å; H110-R174 WeakPolarHBondContact ND1-CD 3.4Å
111	S	94.6	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.7	-172.1	-61.3	0	0	0	0	110.6	Y64 S65 T108 G109 V173 R174	Y64-S111 PolarHBondContact OH-OG 2.81Å; S65-S111 CarbonylContact O-C 3.58Å; S65-S111 WeakPolarHBondContact O-CA 3.17Å; T108-S111 PolarHBondContact O-OG 2.78Å; G109-S111 PolarHBondContact O-N 2.96Å; S111-V173 PolarHBondContact N-O 2.93Å; S111-V173 PolarHBondContact O-N 2.87Å; S111-R174 PolarHBondContact O-NH1 2.89Å
112	D	97.3	Very high	96.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.8	179.9	-46.4	-82.8	0	0	0	110.2	Y64 S65 R67 H114 V171 S172 R174	Y64-D112 WeakPolarHBondContact CA-O 3.44Å; Y64-D112 WeakPolarHBondContact CD2-O 3.43Å; S65-D112 PolarHBondContact N-O 2.9Å; S65-D112 PolarHBondContact O-N 3Å; S65-D112 WeakPolarHBondContact OG-CB 3.37Å; S65-D112 PolarHBondContact OG-OD2 2.88Å; R67-D112 IonicContact NE-OD2 2.83Å; D112-H114 WeakPolarHBondContact CB-NE2 3.11Å; D112-V171 CarbonylContact C-O 3.54Å; D112-V171 WeakPolarHBondContact CA-O 3.38Å; D112-S172 VanDerWaalsContact OD1-CA 3.31Å; D112-S172 WeakPolarHBondContact OD1-CA 3.49Å; D112-S172 WeakPolarHBondContact OD1-CB 3.14Å; D112-S172 PolarHBondContact OD1-OG 3.16Å; D112-R174 IonicContact OD1-CZ 3.66Å; D112-R174 VanDerWaalsContact OD1-CZ 3.25Å; D112-R174 IonicContact OD1-NH1 2.69Å; D112-R174 PolarHBondContact OD1-NH1 2.81Å; D112-R174 IonicContact OD1-NH2 3.73Å; D112-R174 PolarHBondContact OD1-NH2 2.99Å; D112-R174 IonicContact OD2-NH1 2.69Å; D112-R174 IonicContact OD2-NH2 3.67Å
113	F	98.3	Very high	95.9	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.053	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.7	158.2	-74	-54.4	0	0	0	109.6	W63 Y64 I85 M101 V102 P104 L107 W148 V170 V171	W63-F113 WeakPolarHBondContact O-CA 3Å; Y64-F113 AromaticContact CD2-CD1 3.87Å; Y64-F113 HydrophobicContact CD2-CD1 3.87Å; Y64-F113 AromaticContact CD2-CE1 3.64Å; Y64-F113 HydrophobicContact CD2-CE1 3.64Å; Y64-F113 HydrophobicContact CD2-CZ 4.38Å; Y64-F113 HydrophobicContact CE2-CE1 4.48Å; Y64-F113 HydrophobicContact CG-CE1 4.3Å; I85-F113 HydrophobicContact CD1-CD1 4.1Å; I85-F113 HydrophobicContact CD1-CE1 3.89Å; M101-F113 HydrophobicContact CE-CD1 3.63Å; M101-F113 HydrophobicContact CE-CD2 4.25Å; M101-F113 HydrophobicContact CE-CE1 3.48Å; M101-F113 VanDerWaalsContact CE-CE1 3.48Å; M101-F113 HydrophobicContact CE-CE2 4.09Å; M101-F113 HydrophobicContact CE-CG 4.04Å; M101-F113 HydrophobicContact CE-CZ 3.71Å; V102-F113 VanDerWaalsContact O-CE2 3.25Å; V102-F113 WeakPolarHBondContact O-CE2 3.3Å; P104-F113 HydrophobicContact CG-CD2 4.26Å; L107-F113 HydrophobicContact CD1-CD2 3.81Å; L107-F113 HydrophobicContact CD1-CE2 3.55Å; L107-F113 HydrophobicContact CD1-CZ 4.1Å; L107-F113 HydrophobicContact CD2-CE2 4.14Å; L107-F113 HydrophobicContact CD2-CZ 4.05Å; L107-F113 HydrophobicContact CG-CE2 4.07Å; L107-F113 HydrophobicContact CG-CZ 4.49Å; F113-W148 HydrophobicContact CB-CZ2 4.2Å; F113-V170 WeakPolarHBondContact O-CA 3.38Å; F113-V171 HydrophobicContact CB-CG1 3.76Å; F113-V171 HydrophobicContact CD2-CG1 4.38Å; F113-V171 PolarHBondContact N-O 3.49Å; F113-V171 PolarHBondContact O-N 3.34Å
114	H	98.5	Very high	95.6	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.3	174.7	-40.1	-100.4	0	0	0	108.4	F62 W63 S65 Y78 D112 F116 P122 A169 V170	F62-H114 CarbonylContact C-O 3.51Å; F62-H114 WeakPolarHBondContact CA-O 3.42Å; W63-H114 HydrophobicContact CB-CB 4.02Å; W63-H114 PolarHBondContact N-O 3.49Å; W63-H114 PolarHBondContact O-N 3.4Å; S65-H114 PolarHBondContact OG-NE2 3.06Å; Y78-H114 PolarHBondContact OH-CE1 2.93Å; D112-H114 WeakPolarHBondContact CB-NE2 3.11Å; H114-F116 HydrophobicContact CB-CD2 3.92Å; H114-F116 HydrophobicContact CB-CE2 3.95Å; H114-P122 HydrophobicContact CB-CB 3.84Å; H114-P122 HydrophobicContact CB-CG 4.1Å; H114-A169 CarbonylContact C-O 3.57Å; H114-A169 WeakPolarHBondContact CA-O 3.22Å; H114-V170 HydrophobicContact CB-CG2 4.49Å; H114-V170 WeakPolarHBondContact ND1-CG2 3.24Å
115	L	98.8	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	108	171.6	-179.6	62.2	0	0	0	108.3	Y60 F62 F88 W148 I152 M155 L156 G168 A169	Y60-L115 HydrophobicContact CD1-CG 4.27Å; F62-L115 HydrophobicContact CD1-CB 4.12Å; F62-L115 HydrophobicContact CD1-CD1 3.83Å; F62-L115 HydrophobicContact CD1-CG 4.47Å; F62-L115 HydrophobicContact CD2-CD1 4.19Å; F62-L115 HydrophobicContact CE1-CB 4.02Å; F62-L115 HydrophobicContact CE1-CD1 3.91Å; F62-L115 HydrophobicContact CE1-CD2 4.14Å; F62-L115 HydrophobicContact CE1-CG 4.25Å; F62-L115 HydrophobicContact CE2-CD1 4.26Å; F62-L115 HydrophobicContact CG-CD1 3.97Å; F62-L115 HydrophobicContact CZ-CD1 4.13Å; F62-L115 HydrophobicContact CZ-CD2 4.18Å; F88-L115 HydrophobicContact CE1-CD1 3.62Å; F88-L115 HydrophobicContact CZ-CD1 3.64Å; F88-L115 HydrophobicContact CZ-CD2 4.29Å; L115-W148 HydrophobicContact CB-CH2 3.96Å; L115-W148 HydrophobicContact CB-CZ2 4.17Å; L115-I152 HydrophobicContact CB-CG2 4.5Å; L115-I152 HydrophobicContact CD2-CB 3.81Å; L115-I152 HydrophobicContact CD2-CG2 3.79Å; L115-M155 HydrophobicContact CB-CE 4.02Å; L115-M155 HydrophobicContact CD2-CE 3.52Å; L115-M155 HydrophobicContact CG-CE 3.61Å; L115-L156 HydrophobicContact CD2-CD1 4.39Å; L115-L156 HydrophobicContact CD2-CD2 4.25Å; L115-L156 HydrophobicContact CD2-CG 4.4Å; L115-G168 CarbonylContact O-C 3.51Å; L115-G168 WeakPolarHBondContact O-CA 3.37Å; L115-A169 PolarHBondContact N-O 2.99Å; L115-A169 PolarHBondContact O-N 2.92Å
116	F	98.7	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.4	-173.8	-82.4	-113.9	0	0	0	109.9	Y60 T61 H114 I120 P122 C167 V170 W183	Y60-F116 CarbonylContact C-O 3.58Å; Y60-F116 VanDerWaalsContact CA-O 3.31Å; Y60-F116 WeakPolarHBondContact CA-O 3.34Å; T61-F116 PolarHBondContact N-O 3.38Å; T61-F116 PolarHBondContact O-N 3.39Å; H114-F116 HydrophobicContact CB-CD2 3.92Å; H114-F116 HydrophobicContact CB-CE2 3.95Å; F116-I120 HydrophobicContact CD1-CB 4.49Å; F116-I120 HydrophobicContact CD1-CG2 3.87Å; F116-P122 HydrophobicContact CD1-CB 4.18Å; F116-P122 HydrophobicContact CD2-CB 3.56Å; F116-P122 HydrophobicContact CE1-CB 4.08Å; F116-P122 HydrophobicContact CE2-CB 3.47Å; F116-P122 VanDerWaalsContact CE2-CB 3.47Å; F116-P122 HydrophobicContact CG-CB 3.94Å; F116-P122 HydrophobicContact CZ-CB 3.73Å; F116-C167 WeakPolarHBondContact CA-O 3.26Å; F116-C167 HydrophobicContact CD1-CB 4.19Å; F116-C167 HydrophobicContact CE1-CB 4.11Å; F116-V170 HydrophobicContact CE2-CG2 3.69Å; F116-V170 HydrophobicContact CZ-CG2 4.02Å; F116-W183 HydrophobicContact CE1-CB 4.24Å; F116-W183 HydrophobicContact CE1-CD2 4.15Å; F116-W183 AromaticContact CE1-CE3 4Å; F116-W183 HydrophobicContact CE1-CE3 4Å; F116-W183 HydrophobicContact CE1-CG 4.29Å; F116-W183 HydrophobicContact CZ-CB 4.22Å; F116-W183 AromaticContact CZ-CD2 3.75Å; F116-W183 HydrophobicContact CZ-CD2 3.75Å; F116-W183 AromaticContact CZ-CE3 3.97Å; F116-W183 HydrophobicContact CZ-CE3 3.97Å; F116-W183 AromaticContact CZ-CG 3.87Å; F116-W183 HydrophobicContact CZ-CG 3.87Å
117	K	98.6	Very high	95.5	Very high	13 Å²	13	40 Å²	40	6%	0.057	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	143.2	172.8	-68.4	179.6	177.6	173.7	0	109.6	Y58 N59 Y60 G119 I120 I166 C167	Y58-K117 HydrophobicContact CD1-CD 4.21Å; Y58-K117 HydrophobicContact CD2-CD 4.11Å; Y58-K117 VanDerWaalsContact CE2-NZ 3.3Å; Y58-K117 HydrophobicContact CG-CD 3.94Å; Y58-K117 HydrophobicContact CG-CG 4.37Å; N59-K117 CarbonylContact O-C 3.5Å; N59-K117 WeakPolarHBondContact O-CA 3.49Å; Y60-K117 HydrophobicContact CD1-CG 4.1Å; Y60-K117 HydrophobicContact CE1-CB 4.47Å; Y60-K117 HydrophobicContact CE1-CG 3.55Å; K117-G119 PolarHBondContact O-N 3.15Å; K117-I120 HydrophobicContact CB-CD1 4.01Å; K117-I120 HydrophobicContact CB-CG1 4.42Å; K117-I120 PolarHBondContact O-N 2.96Å; K117-I166 VanDerWaalsContact CD-O 3.3Å; K117-I166 WeakPolarHBondContact CD-O 3.41Å; K117-I166 WeakPolarHBondContact CE-O 3.2Å; K117-I166 PolarHBondContact NZ-O 3.04Å; K117-C167 PolarHBondContact N-O 2.69Å
118	E	97.9	Very high	95.6	Very high	89 Å²	89	39.7 Å²	39.7	42%	0.416	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	134.6	178	-177.4	174.4	-150.9	0	0	110.1	N59 T87 I120	N59-E118 HydrophobicContact CB-CB 3.66Å; N59-E118 HydrophobicContact CB-CG 4.45Å; N59-E118 WeakPolarHBondContact CB-OE2 3.3Å; N59-E118 PolarHBondContact ND2-OE2 2.9Å; N59-E118 PolarHBondContact O-N 3.31Å; T87-E118 HydrophobicContact CG2-CB 4.34Å; T87-E118 HydrophobicContact CG2-CG 4.2Å; E118-I120 VanDerWaalsContact C-N 3.34Å
119	G	96.4	Very high	95.9	Very high	73 Å²	73	35.1 Å²	35.1	75%	0.753	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	-13.6	-176.3	0	0	0	0	0	115.1	K117	K117-G119 PolarHBondContact O-N 3.15Å
120	I	97.9	Very high	96.2	Very high	20 Å²	20	37.6 Å²	37.6	10%	0.103	20%	0.198	C	C	.	.			trans	-99.9	115.7	174.9	-53.9	-179.7	0	0	0	109.5	F116 K117 E118 A128 C167	F116-I120 HydrophobicContact CD1-CB 4.49Å; F116-I120 HydrophobicContact CD1-CG2 3.87Å; K117-I120 HydrophobicContact CB-CD1 4.01Å; K117-I120 HydrophobicContact CB-CG1 4.42Å; K117-I120 PolarHBondContact O-N 2.96Å; E118-I120 VanDerWaalsContact C-N 3.34Å; I120-A128 HydrophobicContact CD1-CB 3.72Å; I120-A128 HydrophobicContact CG1-CB 3.91Å; I120-A128 HydrophobicContact CG2-CB 3.99Å; I120-C167 HydrophobicContact CD1-CB 4.26Å; I120-C167 HydrophobicContact CG2-CB 4.35Å
121	K	96.3	Very high	96.4	Very high	83 Å²	83	40.5 Å²	40.5	36%	0.361	22%	0.215	S	C	.	.			trans	-72.8	139.7	170.7	-64.8	-177.2	-178.8	-179.4	0	109.3	W63 E79 M123 D126 N129	W63-K121 HydrophobicContact CH2-CG 4.31Å; E79-K121 IonicContact OE1-NZ 3.93Å; E79-K121 PolarHBondContact OE1-NZ 3.44Å; K121-M123 HydrophobicContact CB-CG 3.77Å; K121-M123 HydrophobicContact CB-SD 3.75Å; K121-M123 HydrophobicContact CD-SD 3.56Å; K121-M123 VanDerWaalsContact CD-SD 3.56Å; K121-M123 HydrophobicContact CG-SD 4.32Å; K121-M123 PolarHBondContact O-N 3.47Å; K121-D126 HydrophobicContact CB-CB 4.3Å; K121-D126 WeakPolarHBondContact CB-OD2 3.34Å; K121-D126 PolarHBondContact N-OD2 2.96Å; K121-N129 PolarHBondContact O-ND2 3.41Å
122	P	96.5	Very high	96.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.013	22%	0.215	C	C	.	.	S	Bend	trans	-76.3	54.9	177	35.2	-40.5	0	0	0	111.6	W63 Y78 I82 H114 F116	W63-P122 HydrophobicContact CB-CG 4.45Å; W63-P122 HydrophobicContact CD2-CG 4.11Å; W63-P122 HydrophobicContact CG-CG 4.04Å; Y78-P122 PolarHBondContact OH-O 3.2Å; I82-P122 HydrophobicContact CD1-CB 4.27Å; I82-P122 HydrophobicContact CD1-CG 3.14Å; I82-P122 HydrophobicContact CG1-CG 4.49Å; H114-P122 HydrophobicContact CB-CB 3.84Å; H114-P122 HydrophobicContact CB-CG 4.1Å; F116-P122 HydrophobicContact CD1-CB 4.18Å; F116-P122 HydrophobicContact CD2-CB 3.56Å; F116-P122 HydrophobicContact CE1-CB 4.08Å; F116-P122 HydrophobicContact CE2-CB 3.47Å; F116-P122 VanDerWaalsContact CE2-CB 3.47Å; F116-P122 HydrophobicContact CG-CB 3.94Å; F116-P122 HydrophobicContact CZ-CB 3.73Å
123	M	93.8	Very high	96.6	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.069	22%	0.215	C	C	.	.	S	Bend	trans	-137.5	139.1	179.8	70.8	-162.9	-63.6	0	0	109.3	Y78 K121 E125 D126 N129	Y78-M123 HydrophobicContact CD1-CB 4.38Å; Y78-M123 HydrophobicContact CE1-CB 4.19Å; K121-M123 HydrophobicContact CB-CG 3.77Å; K121-M123 HydrophobicContact CB-SD 3.75Å; K121-M123 HydrophobicContact CD-SD 3.56Å; K121-M123 VanDerWaalsContact CD-SD 3.56Å; K121-M123 HydrophobicContact CG-SD 4.32Å; K121-M123 PolarHBondContact O-N 3.47Å; M123-E125 HydrophobicContact CE-CB 4.26Å; M123-E125 WeakPolarHBondContact CE-OE2 3.34Å; M123-E125 PolarHBondContact O-N 3.03Å; M123-D126 HydrophobicContact CG-CB 4.12Å; M123-D126 VanDerWaalsContact O-CB 3.25Å; M123-D126 WeakPolarHBondContact O-CB 3.11Å; M123-D126 PolarHBondContact O-N 2.91Å; M123-D126 VanDerWaalsContact O-N 3.08Å; M123-N129 WeakPolarHBondContact O-CB 3.29Å; M123-N129 PolarHBondContact O-ND2 3.35Å
124	W	91.5	Very high	96.6	Very high	85 Å²	85	42 Å²	42	32%	0.322	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-30.6	168.6	52.9	-17.6	0	0	0	115.9	D126 K130 H217 I221	W124-D126 VanDerWaalsContact C-N 3.3Å; W124-D126 PolarHBondContact O-N 2.84Å; W124-K130 WeakPolarHBondContact O-CA 3.46Å; W124-H217 HydrophobicContact CB-CB 4.31Å; W124-I221 HydrophobicContact CD2-CD1 3.96Å; W124-I221 HydrophobicContact CD2-CG1 4.34Å; W124-I221 HydrophobicContact CE3-CB 3.93Å; W124-I221 HydrophobicContact CE3-CD1 3.2Å; W124-I221 HydrophobicContact CE3-CG1 3.18Å; W124-I221 HydrophobicContact CE3-CG2 4.25Å; W124-I221 HydrophobicContact CH2-CB 4.19Å; W124-I221 HydrophobicContact CH2-CD1 4.14Å; W124-I221 HydrophobicContact CH2-CG1 4.23Å; W124-I221 HydrophobicContact CH2-CG2 3.66Å; W124-I221 VanDerWaalsContact CZ3-CA 3.48Å; W124-I221 HydrophobicContact CZ3-CB 3.31Å; W124-I221 HydrophobicContact CZ3-CD1 3.34Å; W124-I221 HydrophobicContact CZ3-CG1 3.13Å; W124-I221 HydrophobicContact CZ3-CG2 3.31Å
125	E	90.8	Very high	96.6	Very high	78 Å²	78	43.1 Å²	43.1	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.6	175.8	-58.5	88.8	173.8	0	0	114.2	S75 M123 D127	S75-E125 WeakPolarHBondContact CB-OE1 3.32Å; S75-E125 PolarHBondContact OG-OE1 3.41Å; M123-E125 HydrophobicContact CE-CB 4.26Å; M123-E125 WeakPolarHBondContact CE-OE2 3.34Å; M123-E125 PolarHBondContact O-N 3.03Å; E125-D127 PolarHBondContact O-N 3.48Å
126	D	94.5	Very high	96.6	Very high	26 Å²	26	43.7 Å²	43.7	14%	0.139	23%	0.229	C	C	.	.	S	Bend	trans	-60.9	139.2	177.4	-169.2	-77.5	0	0	0	110.3	K121 M123 W124 A128 N129 K130	K121-D126 HydrophobicContact CB-CB 4.3Å; K121-D126 WeakPolarHBondContact CB-OD2 3.34Å; K121-D126 PolarHBondContact N-OD2 2.96Å; M123-D126 HydrophobicContact CG-CB 4.12Å; M123-D126 VanDerWaalsContact O-CB 3.25Å; M123-D126 WeakPolarHBondContact O-CB 3.11Å; M123-D126 PolarHBondContact O-N 2.91Å; M123-D126 VanDerWaalsContact O-N 3.08Å; W124-D126 VanDerWaalsContact C-N 3.3Å; W124-D126 PolarHBondContact O-N 2.84Å; D126-A128 PolarHBondContact O-N 3.01Å; D126-A128 VanDerWaalsContact O-N 3.13Å; D126-A128 WeakPolarHBondContact OD1-CB 3.07Å; D126-A128 PolarHBondContact OD1-N 3.1Å; D126-N129 HydrophobicContact CB-CB 4.34Å; D126-N129 PolarHBondContact O-N 3.05Å; D126-K130 PolarHBondContact O-N 3.34Å
127	D	96.9	Very high	96.5	Very high	121 Å²	121	43.9 Å²	43.9	65%	0.647	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.5	-176.5	-83.5	-34.9	0	0	0	113.1	E125 N129 K130	E125-D127 PolarHBondContact O-N 3.48Å; D127-N129 VanDerWaalsContact C-N 3.32Å; D127-K130 WeakPolarHBondContact OD1-CE 3.36Å; D127-K130 IonicContact OD1-NZ 3.47Å; D127-K130 PolarHBondContact OD1-NZ 3.46Å
128	A	97.6	Very high	96.3	Very high	21 Å²	21	48.7 Å²	48.7	17%	0.174	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.5	176.4	0	0	0	0	0	113.2	I120 D126 C167 K185	I120-A128 HydrophobicContact CD1-CB 3.72Å; I120-A128 HydrophobicContact CG1-CB 3.91Å; I120-A128 HydrophobicContact CG2-CB 3.99Å; D126-A128 PolarHBondContact O-N 3.01Å; D126-A128 VanDerWaalsContact O-N 3.13Å; D126-A128 WeakPolarHBondContact OD1-CB 3.07Å; D126-A128 PolarHBondContact OD1-N 3.1Å; A128-C167 PolarHBondContact O-SG 3.28Å; A128-K185 WeakPolarHBondContact O-CA 3.23Å
129	N	97.3	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-22.3	-176.3	-62.9	-37.6	0	0	0	113.4	K121 M123 D126 D127 N131 G132 C167 W183 H217	K121-N129 PolarHBondContact O-ND2 3.41Å; M123-N129 WeakPolarHBondContact O-CB 3.29Å; M123-N129 PolarHBondContact O-ND2 3.35Å; D126-N129 HydrophobicContact CB-CB 4.34Å; D126-N129 PolarHBondContact O-N 3.05Å; D127-N129 VanDerWaalsContact C-N 3.32Å; N129-N131 PolarHBondContact O-N 2.74Å; N129-N131 VanDerWaalsContact O-N 3.07Å; N129-G132 WeakPolarHBondContact O-CA 3.2Å; N129-G132 PolarHBondContact O-N 3.42Å; N129-C167 VanDerWaalsContact OD1-CB 3.29Å; N129-C167 WeakPolarHBondContact OD1-CB 3.48Å; N129-C167 PolarHBondContact OD1-SG 2.77Å; N129-W183 HydrophobicContact CB-CE3 4.41Å; N129-W183 HydrophobicContact CB-CZ3 4.47Å; N129-H217 PolarHBondContact O-CD2 2.84Å
130	K	95.3	Very high	96	Very high	94 Å²	94	50.5 Å²	50.5	41%	0.409	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.3	-171.1	67.1	-172.6	173.4	-169.5	0	115.4	W124 D126 D127	W124-K130 WeakPolarHBondContact O-CA 3.46Å; D126-K130 PolarHBondContact O-N 3.34Å; D127-K130 WeakPolarHBondContact OD1-CE 3.36Å; D127-K130 IonicContact OD1-NZ 3.47Å; D127-K130 PolarHBondContact OD1-NZ 3.46Å
131	N	96.8	Very high	95.8	Very high	115 Å²	115	53.9 Å²	53.9	62%	0.615	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	4.4	178.3	-62.6	-35.1	0	0	0	113.2	N129 K185 A187	N129-N131 PolarHBondContact O-N 2.74Å; N129-N131 VanDerWaalsContact O-N 3.07Å; N131-K185 CarbonylContact C-O 3.57Å; N131-A187 PolarHBondContact O-N 2.78Å
132	G	97.7	Very high	95.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.			trans	-93.4	-169.5	-169.1	0	0	0	0	0	114.2	N129 N184 K185 A187 H217	N129-G132 WeakPolarHBondContact O-CA 3.2Å; N129-G132 PolarHBondContact O-N 3.42Å; G132-N184 WeakPolarHBondContact CA-O 3.44Å; G132-K185 WeakPolarHBondContact CA-O 3.43Å; G132-K185 PolarHBondContact N-O 3.33Å; G132-K185 VanDerWaalsContact N-O 3.1Å; G132-A187 WeakPolarHBondContact O-CB 3.49Å; G132-H217 PolarHBondContact O-CD2 3.32Å; G132-H217 PolarHBondContact O-N 3.44Å
133	G	98.1	Very high	95.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	-176.4	173.4	0	0	0	0	0	111.3	W183 N184 Y214 K215 H217	G133-W183 WeakPolarHBondContact O-CA 3.26Å; G133-N184 PolarHBondContact N-O 2.99Å; G133-N184 VanDerWaalsContact N-O 3.13Å; G133-N184 PolarHBondContact O-N 3.5Å; G133-N184 PolarHBondContact O-OD1 3.28Å; G133-Y214 VanDerWaalsContact CA-OH 3.25Å; G133-Y214 WeakPolarHBondContact CA-OH 3.47Å; G133-Y214 PolarHBondContact N-OH 2.98Å; G133-K215 CarbonylContact C-O 3.18Å; G133-K215 WeakPolarHBondContact CA-O 3.08Å; G133-H217 PolarHBondContact N-CD2 2.82Å; G133-H217 PolarHBondContact N-NE2 2.73Å; G133-H217 PolarHBondContact O-NE2 3.24Å
134	K	98.5	Very high	95.6	Very high	45 Å²	45	55.6 Å²	55.6	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.9	-179	61	-176.8	177.4	-172.4	0	112.2	I136 I182 W183 Y214 K215	K134-I136 HydrophobicContact CD-CD1 4.31Å; K134-I136 HydrophobicContact CD-CG1 4.18Å; K134-I136 HydrophobicContact CG-CD1 4.19Å; K134-I136 HydrophobicContact CG-CG1 3.9Å; K134-I182 CarbonylContact C-O 3.56Å; K134-I182 WeakPolarHBondContact CA-O 3.25Å; K134-I182 WeakPolarHBondContact CB-O 3.43Å; K134-W183 HydrophobicContact CB-CD2 4.46Å; K134-W183 HydrophobicContact CB-CG 3.99Å; K134-W183 HydrophobicContact CD-CZ2 4.11Å; K134-Y214 WeakPolarHBondContact O-CA 3.46Å; K134-Y214 WeakPolarHBondContact O-CD2 3.25Å; K134-K215 PolarHBondContact N-O 3.18Å; K134-K215 PolarHBondContact O-N 2.85Å
135	W	98.5	Very high	95.9	Very high	26 Å²	26	52.9 Å²	52.9	10%	0.098	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.1	159.4	-82.4	104.8	0	0	0	109.2	S181 I182 T193 I196 R197 L200 M212 E213 Y214	W135-S181 WeakPolarHBondContact O-CA 3.36Å; W135-S181 VanDerWaalsContact O-CB 3.25Å; W135-S181 WeakPolarHBondContact O-CB 3.38Å; W135-I182 HydrophobicContact CB-CG2 3.98Å; W135-I182 PolarHBondContact N-O 3.14Å; W135-I182 PolarHBondContact O-N 3.5Å; W135-T193 PolarHBondContact NE1-O 2.88Å; W135-I196 HydrophobicContact CG-CG2 4.44Å; W135-R197 HydrophobicContact CD2-CB 4.32Å; W135-R197 HydrophobicContact CH2-CB 4.12Å; W135-R197 HydrophobicContact CH2-CG 3.87Å; W135-R197 HydrophobicContact CZ2-CB 3.56Å; W135-R197 HydrophobicContact CZ2-CG 3.87Å; W135-R197 HydrophobicContact CZ3-CG 4.25Å; W135-L200 HydrophobicContact CB-CD1 3.6Å; W135-L200 HydrophobicContact CG-CD1 3.93Å; W135-M212 HydrophobicContact CD2-CE 4.37Å; W135-M212 HydrophobicContact CE3-CB 3.79Å; W135-M212 HydrophobicContact CE3-CE 4.13Å; W135-M212 HydrophobicContact CZ3-CB 3.78Å; W135-E213 CarbonylContact C-O 3.47Å; W135-Y214 HydrophobicContact CB-CD2 4.46Å; W135-Y214 AromaticContact CD1-CD2 3.55Å; W135-Y214 AromaticContact CD1-CE2 3.89Å; W135-Y214 AromaticContact CD2-CD2 3.73Å; W135-Y214 HydrophobicContact CD2-CD2 3.73Å; W135-Y214 HydrophobicContact CD2-CG 4.39Å; W135-Y214 AromaticContact CE2-CD2 3.58Å; W135-Y214 HydrophobicContact CE3-CD2 4.47Å; W135-Y214 AromaticContact CG-CD2 3.71Å; W135-Y214 HydrophobicContact CG-CD2 3.71Å; W135-Y214 HydrophobicContact CG-CE2 4.38Å; W135-Y214 HydrophobicContact CZ2-CD2 4.2Å; W135-Y214 HydrophobicContact CZ2-CG 4.39Å; W135-Y214 AromaticContact NE1-CD2 3.5Å; W135-Y214 AromaticContact NE1-CE2 3.98Å
136	I	98	Very high	96.1	Very high	13 Å²	13	57.7 Å²	57.7	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.1	-177.2	-53.4	176.2	0	0	0	108.2	K134 I179 E213 K215	K134-I136 HydrophobicContact CD-CD1 4.31Å; K134-I136 HydrophobicContact CD-CG1 4.18Å; K134-I136 HydrophobicContact CG-CD1 4.19Å; K134-I136 HydrophobicContact CG-CG1 3.9Å; I136-I179 HydrophobicContact CG2-CG2 3.43Å; I136-I179 VanDerWaalsContact CG2-CG2 3.43Å; I136-E213 HydrophobicContact CB-CB 4.45Å; I136-E213 WeakPolarHBondContact CB-O 3.39Å; I136-E213 PolarHBondContact N-O 3.27Å; I136-E213 PolarHBondContact O-N 3.25Å; I136-K215 HydrophobicContact CD1-CB 4.22Å; I136-K215 HydrophobicContact CD1-CD 3.73Å; I136-K215 HydrophobicContact CD1-CG 3.83Å
137	I	97	Very high	96.3	Very high	3 Å²	3	57 Å²	57	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.2	172.9	-53.4	158.6	0	0	0	107.6	L139 I179 I180 L200 L204 L206 T210 M212	I137-L139 HydrophobicContact CG2-CD2 3.78Å; I137-L139 HydrophobicContact CG2-CG 4.42Å; I137-I179 WeakPolarHBondContact O-CA 3.44Å; I137-I180 HydrophobicContact CB-CD1 4.17Å; I137-I180 HydrophobicContact CB-CG1 3.71Å; I137-I180 HydrophobicContact CD1-CD1 3.79Å; I137-I180 HydrophobicContact CD1-CG1 4.07Å; I137-I180 HydrophobicContact CG1-CG1 4.37Å; I137-I180 HydrophobicContact CG2-CG1 4.46Å; I137-I180 PolarHBondContact N-O 3.16Å; I137-I180 PolarHBondContact O-N 3.13Å; I137-L200 HydrophobicContact CD1-CD1 4.32Å; I137-L200 HydrophobicContact CD1-CD2 4.44Å; I137-L204 HydrophobicContact CD1-CD1 3.55Å; I137-L206 HydrophobicContact CD1-CD1 3.78Å; I137-L206 HydrophobicContact CG1-CD1 4.47Å; I137-L206 HydrophobicContact CG2-CD1 4.36Å; I137-T210 HydrophobicContact CG2-CG2 3.84Å; I137-M212 HydrophobicContact CD1-CE 4.22Å; I137-M212 HydrophobicContact CG1-CE 4.29Å; I137-M212 HydrophobicContact CG1-CG 4.09Å
138	R	95.6	Very high	96.3	Very high	115 Å²	115	51.3 Å²	51.3	43%	0.434	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.7	173.7	-68.5	177.2	171.9	91.3	1.8	109.2	E177 I179 E213	R138-E177 WeakPolarHBondContact CD-OE1 3.24Å; R138-E177 WeakPolarHBondContact CD-OE2 3.21Å; R138-E177 WeakPolarHBondContact CG-OE1 3.43Å; R138-E177 IonicContact NE-OE1 3.01Å; R138-E177 PolarHBondContact NE-OE1 3.5Å; R138-E177 VanDerWaalsContact NE-OE1 3.16Å; R138-I179 HydrophobicContact CG-CG1 4.35Å; R138-E213 IonicContact CZ-OE2 2.66Å; R138-E213 IonicContact NH1-OE2 3.78Å; R138-E213 PolarHBondContact NH1-OE2 3.29Å; R138-E213 IonicContact NH2-OE2 2.72Å
139	L	94	Very high	96.4	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.6	-175.3	-58.3	176.7	0	0	0	109.2	I137 L143 C147 E177 D178 I180	I137-L139 HydrophobicContact CG2-CD2 3.78Å; I137-L139 HydrophobicContact CG2-CG 4.42Å; L139-L143 HydrophobicContact CB-CB 4.37Å; L139-C147 HydrophobicContact CD1-CB 3.77Å; L139-E177 WeakPolarHBondContact O-CA 3.22Å; L139-E177 WeakPolarHBondContact O-CB 3Å; L139-D178 HydrophobicContact CB-CB 4.46Å; L139-D178 PolarHBondContact N-O 3.46Å; L139-D178 PolarHBondContact O-N 2.79Å; L139-I180 HydrophobicContact CD1-CD1 4.06Å; L139-I180 HydrophobicContact CD1-CG1 4.07Å; L139-I180 HydrophobicContact CD1-CG2 3.88Å; L139-I180 HydrophobicContact CG-CG1 4.48Å
140	R	93	Very high	96.4	Very high	192 Å²	192	54.4 Å²	54.4	73%	0.725	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	154.3	162.1	65.4	179.4	-177.4	-175.1	-0.2	110	L143	R140-L143 HydrophobicContact CG-CD1 3.57Å; R140-L143 HydrophobicContact CG-CG 3.91Å; R140-L143 PolarHBondContact O-N 3.28Å
141	K	94.1	Very high	96.6	Very high	91 Å²	91	50 Å²	50	40%	0.396	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	146.9	175	-69	-58.2	-166.5	170.8	0	112.5	L143 R174 F175 D178	K141-L143 VanDerWaalsContact C-N 3.35Å; K141-R174 WeakPolarHBondContact CE-O 3.09Å; K141-R174 PolarHBondContact NZ-O 2.91Å; K141-F175 VanDerWaalsContact CE-O 3.28Å; K141-F175 WeakPolarHBondContact CE-O 3.02Å; K141-D178 WeakPolarHBondContact CD-OD2 3.43Å; K141-D178 IonicContact NZ-OD1 3.16Å; K141-D178 PolarHBondContact NZ-OD1 3.08Å; K141-D178 IonicContact NZ-OD2 3.58Å
142	G	93.2	Very high	96.6	Very high	70 Å²	70	44.5 Å²	44.5	72%	0.722	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.5	-9.6	-179.7	0	0	0	0	0	115.3
143	L	94.2	Very high	96.7	Very high	64 Å²	64	47.6 Å²	47.6	34%	0.335	23%	0.227	S	C	.	.			trans	-95.1	-23.6	177.5	-60.6	-176	0	0	0	113.8	L139 R140 K141 S145 R146 C147	L139-L143 HydrophobicContact CB-CB 4.37Å; R140-L143 HydrophobicContact CG-CD1 3.57Å; R140-L143 HydrophobicContact CG-CG 3.91Å; R140-L143 PolarHBondContact O-N 3.28Å; K141-L143 VanDerWaalsContact C-N 3.35Å; L143-S145 PolarHBondContact O-N 2.88Å; L143-R146 PolarHBondContact O-N 2.89Å; L143-C147 PolarHBondContact O-N 2.76Å; L143-C147 VanDerWaalsContact O-N 3.09Å; L143-C147 PolarHBondContact O-SG 3.2Å
144	A	95.5	Very high	96.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.4	-44.1	-168.4	0	0	0	0	0	113.8	P104 R146 C147 W148 V171 D178	P104-A144 HydrophobicContact CB-CB 4.39Å; A144-R146 PolarHBondContact O-N 2.78Å; A144-C147 PolarHBondContact O-N 3.01Å; A144-W148 WeakPolarHBondContact O-CB 3.32Å; A144-W148 PolarHBondContact O-N 2.83Å; A144-V171 HydrophobicContact CB-CG2 4.39Å; A144-D178 HydrophobicContact CB-CB 3.65Å; A144-D178 WeakPolarHBondContact CB-OD2 3.19Å
145	S	96.8	Very high	96.7	Very high	29 Å²	29	45.8 Å²	45.8	20%	0.203	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-46.3	-176.3	-56.8	0	0	0	0	112.7	G105 L143 E149	G105-S145 PolarHBondContact N-OG 3.37Å; L143-S145 PolarHBondContact O-N 2.88Å; S145-E149 WeakPolarHBondContact O-CB 3.35Å; S145-E149 PolarHBondContact O-N 2.77Å
146	R	96.4	Very high	96.7	Very high	178 Å²	178	45.1 Å²	45.1	67%	0.672	22%	0.218	S	C	*	.	H	α-helix	trans	-70.9	-43.3	179.5	-174.5	178.1	-178.4	-176.6	0.3	111.6	L143 A144 W148 E149 N150	L143-R146 PolarHBondContact O-N 2.89Å; A144-R146 PolarHBondContact O-N 2.78Å; R146-W148 VanDerWaalsContact C-N 3.33Å; R146-E149 PolarHBondContact O-N 3.19Å; R146-N150 PolarHBondContact O-N 3.43Å
147	C	96.9	Very high	96.7	Very high	13 Å²	13	46.4 Å²	46.4	9%	0.088	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-38.5	178.2	-66.2	0	0	0	0	111.7	L139 L143 A144 L151 I180 L204	L139-C147 HydrophobicContact CD1-CB 3.77Å; L143-C147 PolarHBondContact O-N 2.76Å; L143-C147 VanDerWaalsContact O-N 3.09Å; L143-C147 PolarHBondContact O-SG 3.2Å; A144-C147 PolarHBondContact O-N 3.01Å; C147-L151 VanDerWaalsContact O-CB 3.26Å; C147-L151 WeakPolarHBondContact O-CB 3.48Å; C147-L151 PolarHBondContact O-N 2.81Å; C147-I180 HydrophobicContact CB-CD1 3.97Å; C147-L204 HydrophobicContact CB-CD2 4.42Å; C147-L204 WeakPolarHBondContact O-CD2 3.25Å
148	W	98.2	Very high	96.8	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-47.8	174.3	174.3	-115.7	0	0	0	111.7	F62 Y98 P104 F113 L115 A144 R146 N150 L151 I152 A169 V171	F62-W148 HydrophobicContact CE1-CZ2 4.17Å; Y98-W148 AromaticContact CE2-CD1 3.97Å; Y98-W148 AromaticContact CE2-NE1 3.84Å; P104-W148 HydrophobicContact CG-CB 3.95Å; P104-W148 VanDerWaalsContact CG-CD1 3.45Å; P104-W148 HydrophobicContact CG-CG 3.76Å; F113-W148 HydrophobicContact CB-CZ2 4.2Å; L115-W148 HydrophobicContact CB-CH2 3.96Å; L115-W148 HydrophobicContact CB-CZ2 4.17Å; A144-W148 WeakPolarHBondContact O-CB 3.32Å; A144-W148 PolarHBondContact O-N 2.83Å; R146-W148 VanDerWaalsContact C-N 3.33Å; W148-N150 PolarHBondContact O-N 2.99Å; W148-L151 HydrophobicContact CE3-CD2 4.29Å; W148-L151 HydrophobicContact CZ3-CD2 4.38Å; W148-L151 WeakPolarHBondContact O-CB 3.24Å; W148-L151 PolarHBondContact O-N 2.83Å; W148-I152 HydrophobicContact CD2-CG2 3.77Å; W148-I152 HydrophobicContact CE3-CG2 3.76Å; W148-I152 HydrophobicContact CH2-CG2 3.44Å; W148-I152 VanDerWaalsContact CH2-CG2 3.44Å; W148-I152 HydrophobicContact CZ2-CG2 3.44Å; W148-I152 VanDerWaalsContact CZ2-CG2 3.44Å; W148-I152 HydrophobicContact CZ3-CG2 3.6Å; W148-I152 WeakPolarHBondContact O-CG1 3.25Å; W148-I152 PolarHBondContact O-N 3.48Å; W148-A169 HydrophobicContact CH2-CB 4.12Å; W148-A169 HydrophobicContact CZ3-CB 3.7Å; W148-V171 HydrophobicContact CB-CB 4.43Å; W148-V171 HydrophobicContact CB-CG1 4.45Å; W148-V171 HydrophobicContact CD2-CB 3.88Å; W148-V171 HydrophobicContact CD2-CG1 3.47Å; W148-V171 VanDerWaalsContact CD2-CG1 3.47Å; W148-V171 HydrophobicContact CE3-CB 3.62Å; W148-V171 HydrophobicContact CE3-CG1 3.65Å; W148-V171 HydrophobicContact CG-CB 4.25Å; W148-V171 HydrophobicContact CG-CG1 3.84Å; W148-V171 HydrophobicContact CH2-CG1 4.33Å; W148-V171 HydrophobicContact CZ2-CG1 4.17Å; W148-V171 HydrophobicContact CZ3-CB 4.16Å; W148-V171 HydrophobicContact CZ3-CG1 4.09Å
149	E	98.4	Very high	96.9	Very high	47 Å²	47	46.4 Å²	46.4	22%	0.22	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-51	177	-170.7	167	86.3	0	0	111.7	Y98 R103 S145 R146 L151 I152 L153	Y98-E149 HydrophobicContact CE1-CB 4.49Å; Y98-E149 HydrophobicContact CE1-CG 3.9Å; Y98-E149 VanDerWaalsContact CE1-OE2 3.26Å; Y98-E149 WeakPolarHBondContact CE1-OE2 3.48Å; Y98-E149 WeakPolarHBondContact OH-CA 3.44Å; Y98-E149 VanDerWaalsContact OH-CB 3.23Å; Y98-E149 WeakPolarHBondContact OH-CB 3.03Å; Y98-E149 PolarHBondContact OH-OE2 3.42Å; R103-E149 IonicContact CZ-OE2 3.25Å; R103-E149 IonicContact NH1-OE2 3.7Å; R103-E149 PolarHBondContact NH1-OE2 2.81Å; R103-E149 IonicContact NH2-OE2 2.85Å; R103-E149 PolarHBondContact NH2-OE2 3.18Å; S145-E149 WeakPolarHBondContact O-CB 3.35Å; S145-E149 PolarHBondContact O-N 2.77Å; R146-E149 PolarHBondContact O-N 3.19Å; E149-L151 VanDerWaalsContact C-N 3.28Å; E149-L151 PolarHBondContact O-N 3.43Å; E149-I152 WeakPolarHBondContact O-CG1 2.71Å; E149-I152 PolarHBondContact O-N 3.43Å; E149-L153 HydrophobicContact CG-CD1 3.9Å; E149-L153 HydrophobicContact CG-CG 4.4Å; E149-L153 WeakPolarHBondContact O-CB 3.31Å; E149-L153 VanDerWaalsContact O-CG 3.22Å; E149-L153 WeakPolarHBondContact O-CG 3.4Å; E149-L153 PolarHBondContact O-N 2.81Å
150	N	98.3	Very high	97.1	Very high	38 Å²	38	46.2 Å²	46.2	20%	0.203	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-39	178	-74.1	4.8	0	0	0	112.2	R146 W148 A154 V203 L204	R146-N150 PolarHBondContact O-N 3.43Å; W148-N150 PolarHBondContact O-N 2.99Å; N150-A154 VanDerWaalsContact O-CB 3.26Å; N150-A154 WeakPolarHBondContact O-CB 3.25Å; N150-A154 PolarHBondContact O-N 3.18Å; N150-V203 PolarHBondContact ND2-O 2.89Å; N150-L204 HydrophobicContact CB-CD2 3.74Å
151	L	98.5	Very high	97.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-52.2	179.2	177.6	57	0	0	0	111.6	C147 W148 E149 A154 M155 F160 A169 I180 I182 L200 L204	C147-L151 VanDerWaalsContact O-CB 3.26Å; C147-L151 WeakPolarHBondContact O-CB 3.48Å; C147-L151 PolarHBondContact O-N 2.81Å; W148-L151 HydrophobicContact CE3-CD2 4.29Å; W148-L151 HydrophobicContact CZ3-CD2 4.38Å; W148-L151 WeakPolarHBondContact O-CB 3.24Å; W148-L151 PolarHBondContact O-N 2.83Å; E149-L151 VanDerWaalsContact C-N 3.28Å; E149-L151 PolarHBondContact O-N 3.43Å; L151-A154 PolarHBondContact O-N 2.96Å; L151-M155 WeakPolarHBondContact O-CB 3.06Å; L151-M155 PolarHBondContact O-N 3.01Å; L151-F160 HydrophobicContact CD1-CZ 4.02Å; L151-A169 HydrophobicContact CD2-CB 3.9Å; L151-A169 HydrophobicContact CG-CB 4.13Å; L151-I180 HydrophobicContact CD2-CB 4.29Å; L151-I182 HydrophobicContact CD1-CB 4.37Å; L151-I182 HydrophobicContact CD1-CD1 4.21Å; L151-L200 HydrophobicContact CD1-CD2 3.51Å; L151-L204 HydrophobicContact CB-CD2 4.09Å
152	I	98.6	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.6	-36.8	-176.8	65.7	-174.9	0	0	0	111.4	F94 Y98 L115 W148 E149 A154 M155 L156	F94-I152 HydrophobicContact CE2-CD1 3.86Å; F94-I152 HydrophobicContact CE2-CG1 4.4Å; F94-I152 HydrophobicContact CZ-CD1 3.81Å; F94-I152 HydrophobicContact CZ-CG1 4.19Å; Y98-I152 HydrophobicContact CD2-CD1 3.93Å; Y98-I152 HydrophobicContact CE1-CD1 4.29Å; Y98-I152 HydrophobicContact CE2-CD1 3.56Å; Y98-I152 HydrophobicContact CG-CD1 4.45Å; L115-I152 HydrophobicContact CB-CG2 4.5Å; L115-I152 HydrophobicContact CD2-CB 3.81Å; L115-I152 HydrophobicContact CD2-CG2 3.79Å; W148-I152 HydrophobicContact CD2-CG2 3.77Å; W148-I152 HydrophobicContact CE3-CG2 3.76Å; W148-I152 HydrophobicContact CH2-CG2 3.44Å; W148-I152 VanDerWaalsContact CH2-CG2 3.44Å; W148-I152 HydrophobicContact CZ2-CG2 3.44Å; W148-I152 VanDerWaalsContact CZ2-CG2 3.44Å; W148-I152 HydrophobicContact CZ3-CG2 3.6Å; W148-I152 WeakPolarHBondContact O-CG1 3.25Å; W148-I152 PolarHBondContact O-N 3.48Å; E149-I152 WeakPolarHBondContact O-CG1 2.71Å; E149-I152 PolarHBondContact O-N 3.43Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 PolarHBondContact O-N 2.94Å; I152-M155 PolarHBondContact O-N 2.89Å; I152-L156 WeakPolarHBondContact O-CB 3.08Å; I152-L156 VanDerWaalsContact O-CG 3.24Å; I152-L156 WeakPolarHBondContact O-CG 3.31Å; I152-L156 PolarHBondContact O-N 3.22Å
153	L	98.6	Very high	97.5	Very high	64 Å²	64	38.3 Å²	38.3	34%	0.335	21%	0.208	S	C	.	.	H	α-helix	trans	-63.9	-41	174.8	-68.8	178.2	0	0	0	111.5	F94 W95 E149 M155 G157	F94-L153 HydrophobicContact CE1-CD2 3.73Å; F94-L153 HydrophobicContact CZ-CD2 4.1Å; W95-L153 HydrophobicContact CZ2-CD2 4.08Å; E149-L153 HydrophobicContact CG-CD1 3.9Å; E149-L153 HydrophobicContact CG-CG 4.4Å; E149-L153 WeakPolarHBondContact O-CB 3.31Å; E149-L153 VanDerWaalsContact O-CG 3.22Å; E149-L153 WeakPolarHBondContact O-CG 3.4Å; E149-L153 PolarHBondContact O-N 2.81Å; L153-M155 VanDerWaalsContact C-N 3.31Å; L153-M155 PolarHBondContact O-N 3.07Å; L153-G157 PolarHBondContact O-N 2.93Å
154	A	98.5	Very high	97.6	Very high	6 Å²	6	41 Å²	41	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-37.3	173.9	0	0	0	0	0	112.5	N150 L151 I152 E158 Q159 F160 V203	N150-A154 VanDerWaalsContact O-CB 3.26Å; N150-A154 WeakPolarHBondContact O-CB 3.25Å; N150-A154 PolarHBondContact O-N 3.18Å; L151-A154 PolarHBondContact O-N 2.96Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 PolarHBondContact O-N 2.94Å; A154-E158 PolarHBondContact O-N 3.33Å; A154-Q159 HydrophobicContact CB-CB 4.11Å; A154-Q159 HydrophobicContact CB-CG 4.37Å; A154-Q159 VanDerWaalsContact O-CB 3.31Å; A154-Q159 WeakPolarHBondContact O-CB 3.36Å; A154-Q159 PolarHBondContact O-N 2.93Å; A154-F160 HydrophobicContact CB-CE2 4.14Å; A154-V203 HydrophobicContact CB-CB 3.92Å; A154-V203 HydrophobicContact CB-CG1 3.83Å; A154-V203 HydrophobicContact CB-CG2 3.78Å
155	M	98.6	Very high	97.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-51.7	176.8	-177.8	174.3	70.1	0	0	111.7	Y60 L115 L151 I152 L153 G157 E158 F160 I166 A169	Y60-M155 HydrophobicContact CD1-CE 4.11Å; Y60-M155 HydrophobicContact CE1-CE 3.89Å; Y60-M155 HydrophobicContact CE1-CG 4.18Å; Y60-M155 HydrophobicContact CE1-SD 4.15Å; L115-M155 HydrophobicContact CB-CE 4.02Å; L115-M155 HydrophobicContact CD2-CE 3.52Å; L115-M155 HydrophobicContact CG-CE 3.61Å; L151-M155 WeakPolarHBondContact O-CB 3.06Å; L151-M155 PolarHBondContact O-N 3.01Å; I152-M155 PolarHBondContact O-N 2.89Å; L153-M155 VanDerWaalsContact C-N 3.31Å; L153-M155 PolarHBondContact O-N 3.07Å; M155-G157 VanDerWaalsContact C-N 3.3Å; M155-G157 PolarHBondContact O-N 3.41Å; M155-E158 PolarHBondContact O-N 3.22Å; M155-E158 VanDerWaalsContact O-N 3.12Å; M155-F160 HydrophobicContact CB-CE2 4.11Å; M155-I166 HydrophobicContact CG-CG2 3.91Å; M155-I166 HydrophobicContact SD-CG2 3.78Å; M155-A169 HydrophobicContact CE-CB 4.1Å; M155-A169 HydrophobicContact SD-CB 3.99Å
156	L	98.5	Very high	97.8	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-32.9	-179.6	-64.3	-178.6	0	0	0	112.6	L56 Y60 F88 F94 L115 I152 E158	L56-L156 HydrophobicContact CD1-CD2 4.26Å; L56-L156 HydrophobicContact CD2-CB 4.08Å; Y60-L156 HydrophobicContact CD1-CD2 3.99Å; Y60-L156 HydrophobicContact CD2-CD2 3.23Å; Y60-L156 HydrophobicContact CE1-CD2 4.11Å; Y60-L156 HydrophobicContact CE2-CD2 3.37Å; Y60-L156 HydrophobicContact CG-CD2 3.57Å; F88-L156 HydrophobicContact CE2-CD1 3.95Å; F88-L156 HydrophobicContact CE2-CD2 3.87Å; F88-L156 HydrophobicContact CZ-CD1 4.05Å; F88-L156 HydrophobicContact CZ-CD2 4.07Å; F94-L156 HydrophobicContact CB-CD1 4.31Å; F94-L156 HydrophobicContact CD1-CD1 4.12Å; F94-L156 HydrophobicContact CD2-CD1 3.36Å; F94-L156 HydrophobicContact CE1-CD1 4.31Å; F94-L156 HydrophobicContact CE2-CD1 3.56Å; F94-L156 HydrophobicContact CG-CD1 3.64Å; F94-L156 HydrophobicContact CZ-CD1 4.04Å; L115-L156 HydrophobicContact CD2-CD1 4.39Å; L115-L156 HydrophobicContact CD2-CD2 4.25Å; L115-L156 HydrophobicContact CD2-CG 4.4Å; I152-L156 WeakPolarHBondContact O-CB 3.08Å; I152-L156 VanDerWaalsContact O-CG 3.24Å; I152-L156 WeakPolarHBondContact O-CG 3.31Å; I152-L156 PolarHBondContact O-N 3.22Å; L156-E158 PolarHBondContact O-N 2.94Å
157	G	98.2	Very high	97.9	Very high	40 Å²	40	32.9 Å²	32.9	41%	0.412	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	15.4	174.5	0	0	0	0	0	114.5	L153 M155 Q159	L153-G157 PolarHBondContact O-N 2.93Å; M155-G157 VanDerWaalsContact C-N 3.3Å; M155-G157 PolarHBondContact O-N 3.41Å; G157-Q159 PolarHBondContact O-N 3.37Å; G157-Q159 PolarHBondContact O-NE2 2.96Å
158	E	97.9	Very high	98	Very high	45 Å²	45	32.3 Å²	32.3	21%	0.21	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	29.9	176	-64.6	-64.7	127.3	0	0	114.6	Q57 Y60 A154 M155 L156 F160 M161	Q57-E158 HydrophobicContact CB-CG 3.64Å; Q57-E158 HydrophobicContact CG-CG 4.05Å; Y60-E158 PolarHBondContact OH-OE1 2.98Å; A154-E158 PolarHBondContact O-N 3.33Å; M155-E158 PolarHBondContact O-N 3.22Å; M155-E158 VanDerWaalsContact O-N 3.12Å; L156-E158 PolarHBondContact O-N 2.94Å; E158-F160 PolarHBondContact O-N 3.43Å; E158-F160 VanDerWaalsContact O-N 3.15Å; E158-M161 WeakPolarHBondContact O-CE 3.49Å; E158-M161 PolarHBondContact O-N 2.57Å
159	Q	98.1	Very high	98	Very high	74 Å²	74	32.2 Å²	32.2	35%	0.346	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.1	-173	-64.3	-62.2	-63.3	0	0	114.4	A154 G157 R202	A154-Q159 HydrophobicContact CB-CB 4.11Å; A154-Q159 HydrophobicContact CB-CG 4.37Å; A154-Q159 VanDerWaalsContact O-CB 3.31Å; A154-Q159 WeakPolarHBondContact O-CB 3.36Å; A154-Q159 PolarHBondContact O-N 2.93Å; G157-Q159 PolarHBondContact O-N 3.37Å; G157-Q159 PolarHBondContact O-NE2 2.96Å; Q159-R202 PolarHBondContact O-NH2 3.13Å
160	F	97.9	Very high	98	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.018	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-32.5	178.1	-69.9	-83.5	0	0	0	112.3	L151 A154 M155 E158 V162 I166 I182 R195 I196 T199 L200	L151-F160 HydrophobicContact CD1-CZ 4.02Å; A154-F160 HydrophobicContact CB-CE2 4.14Å; M155-F160 HydrophobicContact CB-CE2 4.11Å; E158-F160 PolarHBondContact O-N 3.43Å; E158-F160 VanDerWaalsContact O-N 3.15Å; F160-V162 VanDerWaalsContact C-N 3.31Å; F160-V162 HydrophobicContact CB-CG2 4.01Å; F160-V162 PolarHBondContact O-N 3.49Å; F160-I166 HydrophobicContact CB-CD1 4.35Å; F160-I166 HydrophobicContact CB-CG1 4.18Å; F160-I166 HydrophobicContact CD1-CD1 4.43Å; F160-I166 HydrophobicContact CD2-CG1 4.4Å; F160-I166 HydrophobicContact CG-CD1 4.19Å; F160-I166 HydrophobicContact CG-CG1 4.26Å; F160-I182 HydrophobicContact CD1-CD1 4.17Å; F160-I182 HydrophobicContact CD2-CD1 4.06Å; F160-I182 HydrophobicContact CE1-CD1 3.59Å; F160-I182 HydrophobicContact CE2-CD1 3.46Å; F160-I182 VanDerWaalsContact CE2-CD1 3.46Å; F160-I182 HydrophobicContact CG-CD1 4.39Å; F160-I182 HydrophobicContact CZ-CD1 3.21Å; F160-R195 WeakPolarHBondContact O-CG 3.43Å; F160-R195 PolarHBondContact O-NE 3.36Å; F160-I196 HydrophobicContact CD1-CB 4.33Å; F160-I196 HydrophobicContact CD1-CG1 4.25Å; F160-I196 HydrophobicContact CD1-CG2 4.06Å; F160-I196 HydrophobicContact CE1-CG2 3.97Å; F160-T199 HydrophobicContact CD1-CG2 3.55Å; F160-T199 HydrophobicContact CD2-CG2 4.5Å; F160-T199 HydrophobicContact CE1-CG2 3.64Å; F160-T199 HydrophobicContact CG-CG2 4.01Å; F160-T199 HydrophobicContact CZ-CG2 4.16Å; F160-L200 HydrophobicContact CE1-CD2 4.21Å; F160-L200 HydrophobicContact CE1-CG 4.12Å; F160-L200 HydrophobicContact CZ-CD2 4.17Å
161	M	96.3	Very high	98	Very high	117 Å²	117	28.5 Å²	28.5	58%	0.576	16%	0.163	S	C	*	.			trans	53.9	45.1	178.1	-54.6	-66.1	171.3	0	0	112.9	E158	E158-M161 WeakPolarHBondContact O-CE 3.49Å; E158-M161 PolarHBondContact O-N 2.57Å
162	V	97.3	Very high	98	Very high	21 Å²	21	29 Å²	29	13%	0.127	17%	0.167	C	C	.	.			trans	-116.6	24.6	178.7	-65.7	0	0	0	0	112	F160 E164 E165 I166 T192 R195 I196	F160-V162 VanDerWaalsContact C-N 3.31Å; F160-V162 HydrophobicContact CB-CG2 4.01Å; F160-V162 PolarHBondContact O-N 3.49Å; V162-E164 PolarHBondContact O-N 2.77Å; V162-E165 HydrophobicContact CB-CB 4.15Å; V162-E165 HydrophobicContact CG2-CB 3.88Å; V162-E165 WeakPolarHBondContact O-CB 3.47Å; V162-E165 PolarHBondContact O-N 3.31Å; V162-I166 HydrophobicContact CG2-CD1 3.86Å; V162-I166 HydrophobicContact CG2-CG1 3.76Å; V162-T192 HydrophobicContact CB-CG2 4.1Å; V162-T192 HydrophobicContact CG1-CG2 4.15Å; V162-R195 HydrophobicContact CG1-CB 3.88Å; V162-R195 HydrophobicContact CG1-CG 3.58Å; V162-I196 HydrophobicContact CG1-CG1 4.18Å; V162-I196 HydrophobicContact CG2-CD1 4.48Å; V162-I196 HydrophobicContact CG2-CG1 4.3Å
163	G	95.3	Very high	97.9	Very high	48 Å²	48	29.2 Å²	29.2	50%	0.495	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	57.9	-129.7	-176	0	0	0	0	0	112	E165	G163-E165 VanDerWaalsContact C-N 3.27Å; G163-E165 PolarHBondContact O-N 3.23Å
164	E	96.4	Very high	97.7	Very high	121 Å²	121	28.8 Å²	28.8	57%	0.565	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-83.6	1.7	-174.2	-48.2	-161.8	149.3	0	0	114.8	V162 I166 K185	V162-E164 PolarHBondContact O-N 2.77Å; E164-I166 VanDerWaalsContact C-N 3.34Å; E164-I166 PolarHBondContact O-N 2.97Å; E164-K185 WeakPolarHBondContact O-CD 3.1Å; E164-K185 WeakPolarHBondContact O-CE 3.23Å; E164-K185 PolarHBondContact O-NZ 3.11Å; E164-K185 IonicContact OE2-NZ 3.4Å; E164-K185 PolarHBondContact OE2-NZ 3.22Å
165	E	98.4	Very high	97.3	Very high	28 Å²	28	36 Å²	36	13%	0.131	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-65.2	-31.1	-168.2	-87.5	-72.7	128.8	0	0	114	V162 G163 C167 N184 K185 T186 T192	V162-E165 HydrophobicContact CB-CB 4.15Å; V162-E165 HydrophobicContact CG2-CB 3.88Å; V162-E165 WeakPolarHBondContact O-CB 3.47Å; V162-E165 PolarHBondContact O-N 3.31Å; G163-E165 VanDerWaalsContact C-N 3.27Å; G163-E165 PolarHBondContact O-N 3.23Å; E165-C167 PolarHBondContact O-N 3.39Å; E165-N184 CarbonylContact O-C 3.58Å; E165-N184 WeakPolarHBondContact O-CA 3.41Å; E165-N184 VanDerWaalsContact O-CB 3.31Å; E165-N184 WeakPolarHBondContact O-CB 3.36Å; E165-N184 PolarHBondContact OE2-ND2 3.13Å; E165-K185 PolarHBondContact O-N 3.3Å; E165-K185 PolarHBondContact OE2-N 2.85Å; E165-T186 WeakPolarHBondContact OE1-CB 3.26Å; E165-T186 PolarHBondContact OE1-OG1 3.28Å; E165-T186 WeakPolarHBondContact OE2-CB 3.44Å; E165-T186 PolarHBondContact OE2-N 3.33Å; E165-T192 HydrophobicContact CB-CG2 3.71Å; E165-T192 HydrophobicContact CG-CG2 3.66Å
166	I	98.6	Very high	97	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.046	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124.9	178.6	-57.7	-55.1	0	0	0	110.3	K117 M155 F160 V162 E164 I182 I196	K117-I166 VanDerWaalsContact CD-O 3.3Å; K117-I166 WeakPolarHBondContact CD-O 3.41Å; K117-I166 WeakPolarHBondContact CE-O 3.2Å; K117-I166 PolarHBondContact NZ-O 3.04Å; M155-I166 HydrophobicContact CG-CG2 3.91Å; M155-I166 HydrophobicContact SD-CG2 3.78Å; F160-I166 HydrophobicContact CB-CD1 4.35Å; F160-I166 HydrophobicContact CB-CG1 4.18Å; F160-I166 HydrophobicContact CD1-CD1 4.43Å; F160-I166 HydrophobicContact CD2-CG1 4.4Å; F160-I166 HydrophobicContact CG-CD1 4.19Å; F160-I166 HydrophobicContact CG-CG1 4.26Å; V162-I166 HydrophobicContact CG2-CD1 3.86Å; V162-I166 HydrophobicContact CG2-CG1 3.76Å; E164-I166 VanDerWaalsContact C-N 3.34Å; E164-I166 PolarHBondContact O-N 2.97Å; I166-I182 HydrophobicContact CD1-CD1 3.76Å; I166-I182 HydrophobicContact CD1-CG1 4.18Å; I166-I182 HydrophobicContact CG1-CD1 4.45Å; I166-I182 HydrophobicContact CG2-CD1 4.14Å; I166-I182 HydrophobicContact CG2-CG1 4.24Å; I166-I196 HydrophobicContact CD1-CD1 3.61Å; I166-I196 HydrophobicContact CD1-CG1 3.89Å
167	C	98.7	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-46.3	172.7	-61.1	0	0	0	0	111.3	F116 K117 I120 A128 N129 E165 W183 K185	F116-C167 WeakPolarHBondContact CA-O 3.26Å; F116-C167 HydrophobicContact CD1-CB 4.19Å; F116-C167 HydrophobicContact CE1-CB 4.11Å; K117-C167 PolarHBondContact N-O 2.69Å; I120-C167 HydrophobicContact CD1-CB 4.26Å; I120-C167 HydrophobicContact CG2-CB 4.35Å; A128-C167 PolarHBondContact O-SG 3.28Å; N129-C167 VanDerWaalsContact OD1-CB 3.29Å; N129-C167 WeakPolarHBondContact OD1-CB 3.48Å; N129-C167 PolarHBondContact OD1-SG 2.77Å; E165-C167 PolarHBondContact O-N 3.39Å; C167-W183 HydrophobicContact CB-CB 4.22Å; C167-W183 PolarHBondContact N-O 3.43Å; C167-K185 WeakPolarHBondContact SG-CG 3.4Å
168	G	98.7	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-178.2	-175.2	0	0	0	0	0	113.8	L115 W183	L115-G168 CarbonylContact O-C 3.51Å; L115-G168 WeakPolarHBondContact O-CA 3.37Å; G168-W183 PolarHBondContact O-N 2.82Å
169	A	98.8	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.7	-179.6	0	0	0	0	0	111.4	H114 L115 W148 L151 M155 S181	H114-A169 CarbonylContact C-O 3.57Å; H114-A169 WeakPolarHBondContact CA-O 3.22Å; L115-A169 PolarHBondContact N-O 2.99Å; L115-A169 PolarHBondContact O-N 2.92Å; W148-A169 HydrophobicContact CH2-CB 4.12Å; W148-A169 HydrophobicContact CZ3-CB 3.7Å; L151-A169 HydrophobicContact CD2-CB 3.9Å; L151-A169 HydrophobicContact CG-CB 4.13Å; M155-A169 HydrophobicContact CE-CB 4.1Å; M155-A169 HydrophobicContact SD-CB 3.99Å; A169-S181 CarbonylContact C-O 3.58Å; A169-S181 VanDerWaalsContact CA-O 3.24Å; A169-S181 WeakPolarHBondContact CA-O 3.41Å
170	V	98.6	Very high	96.6	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.3	179.9	-176.1	0	0	0	0	109.3	F113 H114 F116 I180 S181 W183	F113-V170 WeakPolarHBondContact O-CA 3.38Å; H114-V170 HydrophobicContact CB-CG2 4.49Å; H114-V170 WeakPolarHBondContact ND1-CG2 3.24Å; F116-V170 HydrophobicContact CE2-CG2 3.69Å; F116-V170 HydrophobicContact CZ-CG2 4.02Å; V170-I180 CarbonylContact O-C 3.57Å; V170-I180 WeakPolarHBondContact O-CA 3.46Å; V170-S181 PolarHBondContact N-O 3.39Å; V170-S181 PolarHBondContact O-N 3.06Å; V170-W183 HydrophobicContact CG2-CZ2 4.36Å
171	V	98.2	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.4	161.8	57.4	0	0	0	0	108.9	P104 D112 F113 A144 W148 I179 I180	P104-V171 HydrophobicContact CB-CG1 4.05Å; P104-V171 HydrophobicContact CB-CG2 3.83Å; P104-V171 HydrophobicContact CG-CG1 3.82Å; P104-V171 HydrophobicContact CG-CG2 4.28Å; D112-V171 CarbonylContact C-O 3.54Å; D112-V171 WeakPolarHBondContact CA-O 3.38Å; F113-V171 HydrophobicContact CB-CG1 3.76Å; F113-V171 HydrophobicContact CD2-CG1 4.38Å; F113-V171 PolarHBondContact N-O 3.49Å; F113-V171 PolarHBondContact O-N 3.34Å; A144-V171 HydrophobicContact CB-CG2 4.39Å; W148-V171 HydrophobicContact CB-CB 4.43Å; W148-V171 HydrophobicContact CB-CG1 4.45Å; W148-V171 HydrophobicContact CD2-CB 3.88Å; W148-V171 HydrophobicContact CD2-CG1 3.47Å; W148-V171 VanDerWaalsContact CD2-CG1 3.47Å; W148-V171 HydrophobicContact CE3-CB 3.62Å; W148-V171 HydrophobicContact CE3-CG1 3.65Å; W148-V171 HydrophobicContact CG-CB 4.25Å; W148-V171 HydrophobicContact CG-CG1 3.84Å; W148-V171 HydrophobicContact CH2-CG1 4.33Å; W148-V171 HydrophobicContact CZ2-CG1 4.17Å; W148-V171 HydrophobicContact CZ3-CB 4.16Å; W148-V171 HydrophobicContact CZ3-CG1 4.09Å; V171-I179 CarbonylContact C-O 3.56Å; V171-I179 WeakPolarHBondContact CA-O 3.47Å; V171-I180 HydrophobicContact CB-CG2 4.15Å; V171-I180 HydrophobicContact CG2-CG2 3.92Å
172	S	97.2	Very high	96.8	Very high	13 Å²	13	34 Å²	34	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110	-172.6	-78.2	0	0	0	0	109.3	D112 R174 D178 I179	D112-S172 VanDerWaalsContact OD1-CA 3.31Å; D112-S172 WeakPolarHBondContact OD1-CA 3.49Å; D112-S172 WeakPolarHBondContact OD1-CB 3.14Å; D112-S172 PolarHBondContact OD1-OG 3.16Å; S172-R174 PolarHBondContact OG-NH2 2.78Å; S172-D178 WeakPolarHBondContact O-CA 3.41Å; S172-I179 PolarHBondContact N-O 3.35Å; S172-I179 PolarHBondContact O-N 3.46Å
173	V	96.4	Very high	96.8	Very high	4 Å²	4	34 Å²	34	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122	177.8	-176.8	0	0	0	0	108.3	P104 L107 H110 S111 D178	P104-V173 HydrophobicContact CB-CG2 4.38Å; P104-V173 WeakPolarHBondContact O-CG2 3.31Å; L107-V173 HydrophobicContact CB-CG2 4.21Å; L107-V173 HydrophobicContact CD1-CG2 4.1Å; H110-V173 WeakPolarHBondContact CA-O 3.32Å; S111-V173 PolarHBondContact N-O 2.93Å; S111-V173 PolarHBondContact O-N 2.87Å; V173-D178 WeakPolarHBondContact CA-OD1 3.19Å
174	R	94.6	Very high	97	Very high	54 Å²	54	31.8 Å²	31.8	20%	0.204	15%	0.147	C	C	.	.			trans	-125.5	-179	178.1	-53.2	-67.4	179.6	-95.1	1.1	110.2	H110 S111 D112 K141 S172 E177 I179	H110-R174 WeakPolarHBondContact ND1-CD 3.4Å; S111-R174 PolarHBondContact O-NH1 2.89Å; D112-R174 IonicContact OD1-CZ 3.66Å; D112-R174 VanDerWaalsContact OD1-CZ 3.25Å; D112-R174 IonicContact OD1-NH1 2.69Å; D112-R174 PolarHBondContact OD1-NH1 2.81Å; D112-R174 IonicContact OD1-NH2 3.73Å; D112-R174 PolarHBondContact OD1-NH2 2.99Å; D112-R174 IonicContact OD2-NH1 2.69Å; D112-R174 IonicContact OD2-NH2 3.67Å; K141-R174 WeakPolarHBondContact CE-O 3.09Å; K141-R174 PolarHBondContact NZ-O 2.91Å; S172-R174 PolarHBondContact OG-NH2 2.78Å; R174-E177 CarbonylContact C-O 3.54Å; R174-E177 WeakPolarHBondContact CA-O 3.11Å; R174-E177 VanDerWaalsContact CB-O 3.25Å; R174-E177 WeakPolarHBondContact CB-O 3.26Å; R174-E177 PolarHBondContact N-O 2.81Å; R174-I179 HydrophobicContact CG-CD1 4.44Å
175	F	91.7	Very high	97.1	Very high	159 Å²	159	28.8 Å²	28.8	70%	0.697	13%	0.132	S	C	*	.	S	Bend	trans	-66.5	-54.1	-175.5	-177.1	-115.1	0	0	0	113	K141	K141-F175 VanDerWaalsContact CE-O 3.28Å; K141-F175 WeakPolarHBondContact CE-O 3.02Å
176	Q	92.1	Very high	97.1	Very high	141 Å²	141	29.6 Å²	29.6	66%	0.659	14%	0.139	S	C	*	.	S	Bend	trans	-93.6	-33.2	-173.5	-65.3	-179.8	-11.5	0	0	113.9
177	E	93.8	Very high	97	Very high	68 Å²	68	30.2 Å²	30.2	32%	0.318	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	161.7	-174.9	62.7	179.2	-158.6	0	0	110	R138 L139 R174 I179	R138-E177 WeakPolarHBondContact CD-OE1 3.24Å; R138-E177 WeakPolarHBondContact CD-OE2 3.21Å; R138-E177 WeakPolarHBondContact CG-OE1 3.43Å; R138-E177 IonicContact NE-OE1 3.01Å; R138-E177 PolarHBondContact NE-OE1 3.5Å; R138-E177 VanDerWaalsContact NE-OE1 3.16Å; L139-E177 WeakPolarHBondContact O-CA 3.22Å; L139-E177 WeakPolarHBondContact O-CB 3Å; R174-E177 CarbonylContact C-O 3.54Å; R174-E177 WeakPolarHBondContact CA-O 3.11Å; R174-E177 VanDerWaalsContact CB-O 3.25Å; R174-E177 WeakPolarHBondContact CB-O 3.26Å; R174-E177 PolarHBondContact N-O 2.81Å; E177-I179 HydrophobicContact CG-CG1 4.44Å
178	D	95.5	Very high	97	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.5	166.4	-60.6	-42.4	0	0	0	108.5	L139 K141 A144 S172 V173	L139-D178 HydrophobicContact CB-CB 4.46Å; L139-D178 PolarHBondContact N-O 3.46Å; L139-D178 PolarHBondContact O-N 2.79Å; K141-D178 WeakPolarHBondContact CD-OD2 3.43Å; K141-D178 IonicContact NZ-OD1 3.16Å; K141-D178 PolarHBondContact NZ-OD1 3.08Å; K141-D178 IonicContact NZ-OD2 3.58Å; A144-D178 HydrophobicContact CB-CB 3.65Å; A144-D178 WeakPolarHBondContact CB-OD2 3.19Å; S172-D178 WeakPolarHBondContact O-CA 3.41Å; V173-D178 WeakPolarHBondContact CA-OD1 3.19Å
179	I	97	Very high	96.9	Very high	30 Å²	30	37.6 Å²	37.6	15%	0.154	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.9	-177	-53	171.3	0	0	0	107.4	I136 I137 R138 V171 S172 R174 E177	I136-I179 HydrophobicContact CG2-CG2 3.43Å; I136-I179 VanDerWaalsContact CG2-CG2 3.43Å; I137-I179 WeakPolarHBondContact O-CA 3.44Å; R138-I179 HydrophobicContact CG-CG1 4.35Å; V171-I179 CarbonylContact C-O 3.56Å; V171-I179 WeakPolarHBondContact CA-O 3.47Å; S172-I179 PolarHBondContact N-O 3.35Å; S172-I179 PolarHBondContact O-N 3.46Å; R174-I179 HydrophobicContact CG-CD1 4.44Å; E177-I179 HydrophobicContact CG-CG1 4.44Å
180	I	97.8	Very high	96.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	147	167.6	60.2	173.3	0	0	0	109.2	I137 L139 C147 L151 V170 V171 L204	I137-I180 HydrophobicContact CB-CD1 4.17Å; I137-I180 HydrophobicContact CB-CG1 3.71Å; I137-I180 HydrophobicContact CD1-CD1 3.79Å; I137-I180 HydrophobicContact CD1-CG1 4.07Å; I137-I180 HydrophobicContact CG1-CG1 4.37Å; I137-I180 HydrophobicContact CG2-CG1 4.46Å; I137-I180 PolarHBondContact N-O 3.16Å; I137-I180 PolarHBondContact O-N 3.13Å; L139-I180 HydrophobicContact CD1-CD1 4.06Å; L139-I180 HydrophobicContact CD1-CG1 4.07Å; L139-I180 HydrophobicContact CD1-CG2 3.88Å; L139-I180 HydrophobicContact CG-CG1 4.48Å; C147-I180 HydrophobicContact CB-CD1 3.97Å; L151-I180 HydrophobicContact CD2-CB 4.29Å; V170-I180 CarbonylContact O-C 3.57Å; V170-I180 WeakPolarHBondContact O-CA 3.46Å; V171-I180 HydrophobicContact CB-CG2 4.15Å; V171-I180 HydrophobicContact CG2-CG2 3.92Å; I180-L204 HydrophobicContact CD1-CD1 3.51Å
181	S	98.4	Very high	96.8	Very high	8 Å²	8	48.4 Å²	48.4	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	148	178.3	-56.6	0	0	0	0	111.8	W135 A169 V170	W135-S181 WeakPolarHBondContact O-CA 3.36Å; W135-S181 VanDerWaalsContact O-CB 3.25Å; W135-S181 WeakPolarHBondContact O-CB 3.38Å; A169-S181 CarbonylContact C-O 3.58Å; A169-S181 VanDerWaalsContact CA-O 3.24Å; A169-S181 WeakPolarHBondContact CA-O 3.41Å; V170-S181 PolarHBondContact N-O 3.39Å; V170-S181 PolarHBondContact O-N 3.06Å
182	I	98.7	Very high	96.8	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.2	169	-169.7	170	0	0	0	108.6	K134 W135 L151 F160 I166 I196 L200	K134-I182 CarbonylContact C-O 3.56Å; K134-I182 WeakPolarHBondContact CA-O 3.25Å; K134-I182 WeakPolarHBondContact CB-O 3.43Å; W135-I182 HydrophobicContact CB-CG2 3.98Å; W135-I182 PolarHBondContact N-O 3.14Å; W135-I182 PolarHBondContact O-N 3.5Å; L151-I182 HydrophobicContact CD1-CB 4.37Å; L151-I182 HydrophobicContact CD1-CD1 4.21Å; F160-I182 HydrophobicContact CD1-CD1 4.17Å; F160-I182 HydrophobicContact CD2-CD1 4.06Å; F160-I182 HydrophobicContact CE1-CD1 3.59Å; F160-I182 HydrophobicContact CE2-CD1 3.46Å; F160-I182 VanDerWaalsContact CE2-CD1 3.46Å; F160-I182 HydrophobicContact CG-CD1 4.39Å; F160-I182 HydrophobicContact CZ-CD1 3.21Å; I166-I182 HydrophobicContact CD1-CD1 3.76Å; I166-I182 HydrophobicContact CD1-CG1 4.18Å; I166-I182 HydrophobicContact CG1-CD1 4.45Å; I166-I182 HydrophobicContact CG2-CD1 4.14Å; I166-I182 HydrophobicContact CG2-CG1 4.24Å; I182-I196 HydrophobicContact CG2-CG2 3.56Å; I182-L200 HydrophobicContact CG2-CD1 3.74Å; I182-L200 HydrophobicContact CG2-CD2 4.08Å; I182-L200 HydrophobicContact CG2-CG 4.23Å
183	W	98.7	Very high	96.9	Very high	21 Å²	21	49.3 Å²	49.3	8%	0.08	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.6	-171.3	-67.7	40.3	0	0	0	109.4	F116 N129 G133 K134 C167 G168 V170 H217	F116-W183 HydrophobicContact CE1-CB 4.24Å; F116-W183 HydrophobicContact CE1-CD2 4.15Å; F116-W183 AromaticContact CE1-CE3 4Å; F116-W183 HydrophobicContact CE1-CE3 4Å; F116-W183 HydrophobicContact CE1-CG 4.29Å; F116-W183 HydrophobicContact CZ-CB 4.22Å; F116-W183 AromaticContact CZ-CD2 3.75Å; F116-W183 HydrophobicContact CZ-CD2 3.75Å; F116-W183 AromaticContact CZ-CE3 3.97Å; F116-W183 HydrophobicContact CZ-CE3 3.97Å; F116-W183 AromaticContact CZ-CG 3.87Å; F116-W183 HydrophobicContact CZ-CG 3.87Å; N129-W183 HydrophobicContact CB-CE3 4.41Å; N129-W183 HydrophobicContact CB-CZ3 4.47Å; G133-W183 WeakPolarHBondContact O-CA 3.26Å; K134-W183 HydrophobicContact CB-CD2 4.46Å; K134-W183 HydrophobicContact CB-CG 3.99Å; K134-W183 HydrophobicContact CD-CZ2 4.11Å; C167-W183 HydrophobicContact CB-CB 4.22Å; C167-W183 PolarHBondContact N-O 3.43Å; G168-W183 PolarHBondContact O-N 2.82Å; V170-W183 HydrophobicContact CG2-CZ2 4.36Å; W183-H217 AromaticContact CD2-CE1 3.36Å; W183-H217 AromaticContact CD2-NE2 3.66Å; W183-H217 AromaticContact CE2-CE1 3.8Å; W183-H217 AromaticContact CE3-CE1 3.14Å; W183-H217 AromaticContact CE3-NE2 3.21Å; W183-H217 AromaticContact CH2-CE1 3.85Å; W183-H217 AromaticContact CZ3-CE1 3.4Å; W183-H217 VanDerWaalsContact CZ3-CE1 3.4Å; W183-H217 WeakPolarHBondContact CZ3-CE1 3.41Å; W183-H217 AromaticContact CZ3-ND1 3.93Å; W183-H217 AromaticContact CZ3-NE2 3.75Å
184	N	98.7	Very high	96.9	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156	176	78.7	-76.7	0	0	0	112.4	G132 G133 E165 T186 I196 Y214	G132-N184 WeakPolarHBondContact CA-O 3.44Å; G133-N184 PolarHBondContact N-O 2.99Å; G133-N184 VanDerWaalsContact N-O 3.13Å; G133-N184 PolarHBondContact O-N 3.5Å; G133-N184 PolarHBondContact O-OD1 3.28Å; E165-N184 CarbonylContact O-C 3.58Å; E165-N184 WeakPolarHBondContact O-CA 3.41Å; E165-N184 VanDerWaalsContact O-CB 3.31Å; E165-N184 WeakPolarHBondContact O-CB 3.36Å; E165-N184 PolarHBondContact OE2-ND2 3.13Å; N184-T186 PolarHBondContact ND2-N 3.25Å; N184-T186 PolarHBondContact ND2-O 3.41Å; N184-I196 HydrophobicContact CB-CD1 3.69Å; N184-Y214 WeakPolarHBondContact OD1-CE2 3.46Å; N184-Y214 PolarHBondContact OD1-OH 3.47Å
185	K	98.5	Very high	97.1	Very high	57 Å²	57	54 Å²	54	25%	0.248	28%	0.284	C	S	.	.	S	Bend	trans	-65.8	-37.8	-171.6	-65.4	178.3	177.1	177.5	0	114.1	A128 N131 G132 E164 E165 C167	A128-K185 WeakPolarHBondContact O-CA 3.23Å; N131-K185 CarbonylContact C-O 3.57Å; G132-K185 WeakPolarHBondContact CA-O 3.43Å; G132-K185 PolarHBondContact N-O 3.33Å; G132-K185 VanDerWaalsContact N-O 3.1Å; E164-K185 WeakPolarHBondContact O-CD 3.1Å; E164-K185 WeakPolarHBondContact O-CE 3.23Å; E164-K185 PolarHBondContact O-NZ 3.11Å; E164-K185 IonicContact OE2-NZ 3.4Å; E164-K185 PolarHBondContact OE2-NZ 3.22Å; E165-K185 PolarHBondContact O-N 3.3Å; E165-K185 PolarHBondContact OE2-N 2.85Å; C167-K185 WeakPolarHBondContact SG-CG 3.4Å
186	T	98.2	Very high	97.4	Very high	46 Å²	46	46.5 Å²	46.5	28%	0.282	25%	0.251	S	S	.	.			trans	-122.5	100.3	-168.7	-49.2	0	0	0	0	111.6	E165 N184 S188 D189	E165-T186 WeakPolarHBondContact OE1-CB 3.26Å; E165-T186 PolarHBondContact OE1-OG1 3.28Å; E165-T186 WeakPolarHBondContact OE2-CB 3.44Å; E165-T186 PolarHBondContact OE2-N 3.33Å; N184-T186 PolarHBondContact ND2-N 3.25Å; N184-T186 PolarHBondContact ND2-O 3.41Å; T186-S188 VanDerWaalsContact C-N 3.3Å; T186-S188 WeakPolarHBondContact CG2-OG 3.46Å; T186-S188 PolarHBondContact O-N 2.88Å; T186-D189 HydrophobicContact CG2-CB 3.99Å; T186-D189 PolarHBondContact O-N 3.19Å
187	A	97.8	Very high	97.7	Very high	21 Å²	21	44 Å²	44	17%	0.174	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26	-179.9	0	0	0	0	0	114.4	N131 G132 D189 Y214 T216	N131-A187 PolarHBondContact O-N 2.78Å; G132-A187 WeakPolarHBondContact O-CB 3.49Å; A187-D189 VanDerWaalsContact C-N 3.3Å; A187-Y214 WeakPolarHBondContact CA-OH 3.41Å; A187-Y214 HydrophobicContact CB-CE1 4.03Å; A187-T216 HydrophobicContact CB-CG2 3.89Å
188	S	97.4	Very high	97.8	Very high	102 Å²	102	44.4 Å²	44.4	71%	0.713	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.2	-180	51.2	0	0	0	0	113.5	T186 Q190	T186-S188 VanDerWaalsContact C-N 3.3Å; T186-S188 WeakPolarHBondContact CG2-OG 3.46Å; T186-S188 PolarHBondContact O-N 2.88Å; S188-Q190 PolarHBondContact O-N 3.03Å; S188-Q190 VanDerWaalsContact O-N 3.09Å
189	D	97.8	Very high	97.9	Very high	54 Å²	54	44.6 Å²	44.6	29%	0.289	24%	0.241	S	C	.	.			trans	-79.2	94.2	177.4	-175.7	-8.7	0	0	0	110.6	T186 A187 A191 T192 T193	T186-D189 HydrophobicContact CG2-CB 3.99Å; T186-D189 PolarHBondContact O-N 3.19Å; A187-D189 VanDerWaalsContact C-N 3.3Å; D189-A191 VanDerWaalsContact C-N 3.3Å; D189-A191 PolarHBondContact O-N 2.9Å; D189-A191 PolarHBondContact OD1-N 3.45Å; D189-T192 VanDerWaalsContact CG-CB 3.41Å; D189-T192 VanDerWaalsContact CG-OG1 3.27Å; D189-T192 PolarHBondContact O-N 2.66Å; D189-T192 PolarHBondContact OD1-N 3.35Å; D189-T192 WeakPolarHBondContact OD2-CB 3.47Å; D189-T192 PolarHBondContact OD2-OG1 2.96Å; D189-T193 WeakPolarHBondContact O-CB 3.2Å; D189-T193 VanDerWaalsContact O-CG2 3.29Å; D189-T193 WeakPolarHBondContact O-CG2 3.46Å; D189-T193 PolarHBondContact O-N 2.59Å; D189-T193 PolarHBondContact O-OG1 3.34Å
190	Q	97.2	Very high	97.9	Very high	160 Å²	160	43.3 Å²	43.3	75%	0.748	24%	0.235	S	C	*	.	H	α-helix	trans	-65.4	-31.8	-179.9	-65.1	-175.9	2	0	0	112.9	S188 T193 A194	S188-Q190 PolarHBondContact O-N 3.03Å; S188-Q190 VanDerWaalsContact O-N 3.09Å; Q190-T193 VanDerWaalsContact CA-OG1 3.31Å; Q190-T193 WeakPolarHBondContact CA-OG1 3.3Å; Q190-T193 PolarHBondContact O-OG1 2.87Å; Q190-A194 WeakPolarHBondContact O-CB 3.47Å; Q190-A194 PolarHBondContact O-N 3.29Å
191	A	98.1	Very high	97.8	Very high	74 Å²	74	47.2 Å²	47.2	61%	0.612	25%	0.25	S	C	*	.	H	α-helix	trans	-69.7	-46.8	179.2	0	0	0	0	0	110.5	D189 A194 R195	D189-A191 VanDerWaalsContact C-N 3.3Å; D189-A191 PolarHBondContact O-N 2.9Å; D189-A191 PolarHBondContact OD1-N 3.45Å; A191-A194 PolarHBondContact O-N 3.15Å; A191-R195 WeakPolarHBondContact O-CB 3.43Å; A191-R195 PolarHBondContact O-N 3.29Å
192	T	98.2	Very high	97.6	Very high	15 Å²	15	53.1 Å²	53.1	9%	0.092	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-51	174.5	-73.3	0	0	0	0	111.3	V162 E165 D189 A194 R195 I196	V162-T192 HydrophobicContact CB-CG2 4.1Å; V162-T192 HydrophobicContact CG1-CG2 4.15Å; E165-T192 HydrophobicContact CB-CG2 3.71Å; E165-T192 HydrophobicContact CG-CG2 3.66Å; D189-T192 VanDerWaalsContact CG-CB 3.41Å; D189-T192 VanDerWaalsContact CG-OG1 3.27Å; D189-T192 PolarHBondContact O-N 2.66Å; D189-T192 PolarHBondContact OD1-N 3.35Å; D189-T192 WeakPolarHBondContact OD2-CB 3.47Å; D189-T192 PolarHBondContact OD2-OG1 2.96Å; T192-A194 VanDerWaalsContact C-N 3.32Å; T192-A194 PolarHBondContact O-N 3.24Å; T192-R195 PolarHBondContact O-N 3.38Å; T192-R195 VanDerWaalsContact O-N 3.17Å; T192-I196 HydrophobicContact CG2-CD1 3.75Å; T192-I196 HydrophobicContact CG2-CG1 4.4Å; T192-I196 VanDerWaalsContact O-CG1 3.29Å; T192-I196 WeakPolarHBondContact O-CG1 3.19Å; T192-I196 PolarHBondContact O-N 3.48Å
193	T	98	Very high	97.5	Very high	16 Å²	16	54 Å²	54	10%	0.098	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-38	-177.7	53.7	0	0	0	0	112.1	W135 D189 Q190 I196 R197 Y214	W135-T193 PolarHBondContact NE1-O 2.88Å; D189-T193 WeakPolarHBondContact O-CB 3.2Å; D189-T193 VanDerWaalsContact O-CG2 3.29Å; D189-T193 WeakPolarHBondContact O-CG2 3.46Å; D189-T193 PolarHBondContact O-N 2.59Å; D189-T193 PolarHBondContact O-OG1 3.34Å; Q190-T193 VanDerWaalsContact CA-OG1 3.31Å; Q190-T193 WeakPolarHBondContact CA-OG1 3.3Å; Q190-T193 PolarHBondContact O-OG1 2.87Å; T193-I196 PolarHBondContact O-N 3.31Å; T193-R197 PolarHBondContact O-N 2.99Å; T193-R197 VanDerWaalsContact O-N 3.08Å; T193-Y214 HydrophobicContact CG2-CD2 4.37Å; T193-Y214 HydrophobicContact CG2-CE1 4.02Å; T193-Y214 HydrophobicContact CG2-CE2 3.65Å; T193-Y214 VanDerWaalsContact CG2-CZ 3.44Å; T193-Y214 WeakPolarHBondContact CG2-OH 3.43Å
194	A	97.8	Very high	97.4	Very high	29 Å²	29	53.5 Å²	53.5	24%	0.24	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-44.6	173	0	0	0	0	0	112.2	Q190 A191 T192 I196 R197 D198	Q190-A194 WeakPolarHBondContact O-CB 3.47Å; Q190-A194 PolarHBondContact O-N 3.29Å; A191-A194 PolarHBondContact O-N 3.15Å; T192-A194 VanDerWaalsContact C-N 3.32Å; T192-A194 PolarHBondContact O-N 3.24Å; A194-I196 VanDerWaalsContact C-N 3.3Å; A194-I196 PolarHBondContact O-N 3.03Å; A194-R197 WeakPolarHBondContact O-CB 3.31Å; A194-R197 PolarHBondContact O-N 3.15Å; A194-D198 VanDerWaalsContact O-CG 3.25Å; A194-D198 PolarHBondContact O-N 3.05Å
195	R	98	Very high	96.9	Very high	128 Å²	128	59 Å²	59	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-39.1	176.8	-179.9	60.7	175.4	-128.7	3.4	112.4	F160 V162 A191 T192 D198 T199	F160-R195 WeakPolarHBondContact O-CG 3.43Å; F160-R195 PolarHBondContact O-NE 3.36Å; V162-R195 HydrophobicContact CG1-CB 3.88Å; V162-R195 HydrophobicContact CG1-CG 3.58Å; A191-R195 WeakPolarHBondContact O-CB 3.43Å; A191-R195 PolarHBondContact O-N 3.29Å; T192-R195 PolarHBondContact O-N 3.38Å; T192-R195 VanDerWaalsContact O-N 3.17Å; R195-D198 PolarHBondContact O-N 2.67Å; R195-T199 WeakPolarHBondContact O-CB 3.2Å; R195-T199 PolarHBondContact O-N 2.87Å; R195-T199 PolarHBondContact O-OG1 3.17Å
196	I	98.4	Very high	96.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-47.4	175.2	-66	168.6	0	0	0	110.4	W135 F160 V162 I166 I182 N184 T192 T193 A194 D198 T199 L200	W135-I196 HydrophobicContact CG-CG2 4.44Å; F160-I196 HydrophobicContact CD1-CB 4.33Å; F160-I196 HydrophobicContact CD1-CG1 4.25Å; F160-I196 HydrophobicContact CD1-CG2 4.06Å; F160-I196 HydrophobicContact CE1-CG2 3.97Å; V162-I196 HydrophobicContact CG1-CG1 4.18Å; V162-I196 HydrophobicContact CG2-CD1 4.48Å; V162-I196 HydrophobicContact CG2-CG1 4.3Å; I166-I196 HydrophobicContact CD1-CD1 3.61Å; I166-I196 HydrophobicContact CD1-CG1 3.89Å; I182-I196 HydrophobicContact CG2-CG2 3.56Å; N184-I196 HydrophobicContact CB-CD1 3.69Å; T192-I196 HydrophobicContact CG2-CD1 3.75Å; T192-I196 HydrophobicContact CG2-CG1 4.4Å; T192-I196 VanDerWaalsContact O-CG1 3.29Å; T192-I196 WeakPolarHBondContact O-CG1 3.19Å; T192-I196 PolarHBondContact O-N 3.48Å; T193-I196 PolarHBondContact O-N 3.31Å; A194-I196 VanDerWaalsContact C-N 3.3Å; A194-I196 PolarHBondContact O-N 3.03Å; I196-D198 VanDerWaalsContact C-N 3.33Å; I196-D198 PolarHBondContact O-N 3.06Å; I196-T199 PolarHBondContact O-N 3.24Å; I196-L200 HydrophobicContact CG2-CD1 4.14Å; I196-L200 HydrophobicContact CG2-CG 4.37Å; I196-L200 WeakPolarHBondContact O-CG 3.39Å; I196-L200 PolarHBondContact O-N 2.72Å
197	R	97	Very high	95.3	Very high	88 Å²	88	58.4 Å²	58.4	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-55.6	-47.4	177	-176.3	-163.6	64.9	-154.9	-7.8	112.1	W135 T193 A194 L200 R201 M212	W135-R197 HydrophobicContact CD2-CB 4.32Å; W135-R197 HydrophobicContact CH2-CB 4.12Å; W135-R197 HydrophobicContact CH2-CG 3.87Å; W135-R197 HydrophobicContact CZ2-CB 3.56Å; W135-R197 HydrophobicContact CZ2-CG 3.87Å; W135-R197 HydrophobicContact CZ3-CG 4.25Å; T193-R197 PolarHBondContact O-N 2.99Å; T193-R197 VanDerWaalsContact O-N 3.08Å; A194-R197 WeakPolarHBondContact O-CB 3.31Å; A194-R197 PolarHBondContact O-N 3.15Å; R197-L200 WeakPolarHBondContact O-CB 3.45Å; R197-L200 PolarHBondContact O-N 2.84Å; R197-R201 PolarHBondContact O-N 2.87Å; R197-M212 HydrophobicContact CB-CE 4.37Å; R197-M212 HydrophobicContact CG-CE 3.81Å; R197-M212 HydrophobicContact CG-SD 4.04Å
198	D	96.1	Very high	94.4	Very high	78 Å²	78	63.1 Å²	63.1	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-70.4	-37.2	-175.2	-62	-14.2	0	0	0	110.8	A194 R195 I196 R201 R202	A194-D198 VanDerWaalsContact O-CG 3.25Å; A194-D198 PolarHBondContact O-N 3.05Å; R195-D198 PolarHBondContact O-N 2.67Å; I196-D198 VanDerWaalsContact C-N 3.33Å; I196-D198 PolarHBondContact O-N 3.06Å; D198-R201 PolarHBondContact O-N 3.03Å; D198-R202 PolarHBondContact O-N 2.87Å; D198-R202 VanDerWaalsContact O-N 3.16Å
199	T	97.4	Very high	93.8	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-45.7	171.2	-59.5	0	0	0	0	111.9	F160 R195 I196 R201 R202 V203	F160-T199 HydrophobicContact CD1-CG2 3.55Å; F160-T199 HydrophobicContact CD2-CG2 4.5Å; F160-T199 HydrophobicContact CE1-CG2 3.64Å; F160-T199 HydrophobicContact CG-CG2 4.01Å; F160-T199 HydrophobicContact CZ-CG2 4.16Å; R195-T199 WeakPolarHBondContact O-CB 3.2Å; R195-T199 PolarHBondContact O-N 2.87Å; R195-T199 PolarHBondContact O-OG1 3.17Å; I196-T199 PolarHBondContact O-N 3.24Å; T199-R201 VanDerWaalsContact C-N 3.33Å; T199-R201 PolarHBondContact O-N 2.76Å; T199-R202 PolarHBondContact O-N 2.85Å; T199-R202 VanDerWaalsContact O-N 3.15Å; T199-V203 HydrophobicContact CG2-CG1 3.96Å; T199-V203 WeakPolarHBondContact O-CG1 3.18Å; T199-V203 WeakPolarHBondContact O-CG2 3.4Å; T199-V203 PolarHBondContact O-N 3.29Å
200	L	97.6	Very high	93.3	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-55.5	-47.3	176.4	-77.3	171.6	0	0	0	111.5	W135 I137 L151 F160 I182 I196 R197 R202 L204 M212	W135-L200 HydrophobicContact CB-CD1 3.6Å; W135-L200 HydrophobicContact CG-CD1 3.93Å; I137-L200 HydrophobicContact CD1-CD1 4.32Å; I137-L200 HydrophobicContact CD1-CD2 4.44Å; L151-L200 HydrophobicContact CD1-CD2 3.51Å; F160-L200 HydrophobicContact CE1-CD2 4.21Å; F160-L200 HydrophobicContact CE1-CG 4.12Å; F160-L200 HydrophobicContact CZ-CD2 4.17Å; I182-L200 HydrophobicContact CG2-CD1 3.74Å; I182-L200 HydrophobicContact CG2-CD2 4.08Å; I182-L200 HydrophobicContact CG2-CG 4.23Å; I196-L200 HydrophobicContact CG2-CD1 4.14Å; I196-L200 HydrophobicContact CG2-CG 4.37Å; I196-L200 WeakPolarHBondContact O-CG 3.39Å; I196-L200 PolarHBondContact O-N 2.72Å; R197-L200 WeakPolarHBondContact O-CB 3.45Å; R197-L200 PolarHBondContact O-N 2.84Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 2.82Å; L200-L204 HydrophobicContact CD2-CD1 3.96Å; L200-L204 WeakPolarHBondContact O-CB 3.39Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 2.59Å; L200-M212 HydrophobicContact CB-CE 3.67Å; L200-M212 HydrophobicContact CD1-CE 3.46Å; L200-M212 VanDerWaalsContact CD1-CE 3.46Å; L200-M212 HydrophobicContact CG-CE 4.23Å
201	R	95	Very high	93	Very high	84 Å²	84	62.5 Å²	62.5	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-57.3	-44.6	177.2	-73.8	-177.9	175.8	-92.3	-2.1	111.9	R197 D198 T199 N205 L206 P208 M212	R197-R201 PolarHBondContact O-N 2.87Å; D198-R201 PolarHBondContact O-N 3.03Å; T199-R201 VanDerWaalsContact C-N 3.33Å; T199-R201 PolarHBondContact O-N 2.76Å; R201-N205 PolarHBondContact O-N 2.97Å; R201-L206 PolarHBondContact O-N 2.84Å; R201-P208 PolarHBondContact NH1-O 3.27Å; R201-M212 HydrophobicContact CG-SD 3.64Å
202	R	95.4	Very high	92.9	Very high	131 Å²	131	60.1 Å²	60.1	49%	0.494	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-51.9	-179.9	-179	177.8	60.2	86	-3	112.6	Q159 D198 T199 L200 N205	Q159-R202 PolarHBondContact O-NH2 3.13Å; D198-R202 PolarHBondContact O-N 2.87Å; D198-R202 VanDerWaalsContact O-N 3.16Å; T199-R202 PolarHBondContact O-N 2.85Å; T199-R202 VanDerWaalsContact O-N 3.15Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 2.82Å; R202-N205 PolarHBondContact O-OD1 2.76Å
203	V	96.7	Very high	92.8	Very high	22 Å²	22	62.5 Å²	62.5	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-78.5	-26	-171.5	-56.1	0	0	0	0	113.1	N150 A154 T199	N150-V203 PolarHBondContact ND2-O 2.89Å; A154-V203 HydrophobicContact CB-CB 3.92Å; A154-V203 HydrophobicContact CB-CG1 3.83Å; A154-V203 HydrophobicContact CB-CG2 3.78Å; T199-V203 HydrophobicContact CG2-CG1 3.96Å; T199-V203 WeakPolarHBondContact O-CG1 3.18Å; T199-V203 WeakPolarHBondContact O-CG2 3.4Å; T199-V203 PolarHBondContact O-N 3.29Å
204	L	95.3	Very high	92.8	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-92.4	-4.3	179.8	-59.2	-178.2	0	0	0	113.4	I137 C147 N150 L151 I180 L200 L206	I137-L204 HydrophobicContact CD1-CD1 3.55Å; C147-L204 HydrophobicContact CB-CD2 4.42Å; C147-L204 WeakPolarHBondContact O-CD2 3.25Å; N150-L204 HydrophobicContact CB-CD2 3.74Å; L151-L204 HydrophobicContact CB-CD2 4.09Å; I180-L204 HydrophobicContact CD1-CD1 3.51Å; L200-L204 HydrophobicContact CD2-CD1 3.96Å; L200-L204 WeakPolarHBondContact O-CB 3.39Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 2.59Å; L204-L206 HydrophobicContact CB-CD1 4.12Å; L204-L206 HydrophobicContact CB-CD2 3.97Å; L204-L206 HydrophobicContact CB-CG 3.69Å; L204-L206 HydrophobicContact CD1-CD1 4.16Å; L204-L206 PolarHBondContact O-N 3.47Å
205	N	90.2	Very high	92.8	Very high	117 Å²	117	65.3 Å²	65.3	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	44.5	-176.2	-59.3	-51.8	0	0	0	112.4	R201 R202	R201-N205 PolarHBondContact O-N 2.97Å; R202-N205 PolarHBondContact O-OD1 2.76Å
206	L	83.3	Confident	92.7	Very high	24 Å²	24	60.6 Å²	60.6	13%	0.126	30%	0.304	C	S	.	.			trans	-75.5	137.9	-175.9	-62.5	173.4	0	0	0	110.7	I137 R201 L204 T210 M212	I137-L206 HydrophobicContact CD1-CD1 3.78Å; I137-L206 HydrophobicContact CG1-CD1 4.47Å; I137-L206 HydrophobicContact CG2-CD1 4.36Å; R201-L206 PolarHBondContact O-N 2.84Å; L204-L206 HydrophobicContact CB-CD1 4.12Å; L204-L206 HydrophobicContact CB-CD2 3.97Å; L204-L206 HydrophobicContact CB-CG 3.69Å; L204-L206 HydrophobicContact CD1-CD1 4.16Å; L204-L206 PolarHBondContact O-N 3.47Å; L206-T210 HydrophobicContact CB-CG2 4.39Å; L206-T210 HydrophobicContact CD1-CG2 4.11Å; L206-T210 HydrophobicContact CD2-CG2 4.28Å; L206-T210 HydrophobicContact CG-CG2 4.47Å; L206-M212 HydrophobicContact CD1-SD 4.38Å
207	P	79.6	Confident	92.5	Very high	67 Å²	67	60.8 Å²	60.8	44%	0.435	31%	0.305	S	S	.	.			trans	-50.3	145.9	166.8	-29.5	36.2	0	0	0	112.1	N209 T210	P207-N209 WeakPolarHBondContact CB-OD1 3.4Å; P207-N209 PolarHBondContact O-N 3.44Å; P207-T210 WeakPolarHBondContact CD-OG1 3.42Å; P207-T210 WeakPolarHBondContact O-CB 3.5Å; P207-T210 PolarHBondContact O-N 3.34Å; P207-T210 PolarHBondContact O-OG1 3.09Å
208	P	78.3	Confident	92.3	Very high	119 Å²	119	59.7 Å²	59.7	77%	0.773	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.3	-179	-28	35.2	0	0	0	113.8	R201 T210	R201-P208 PolarHBondContact NH1-O 3.27Å; P208-T210 VanDerWaalsContact C-N 3.34Å; P208-T210 PolarHBondContact O-N 3.46Å
209	N	83.8	Confident	92.1	Very high	135 Å²	135	60 Å²	60	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	1.6	179.9	67.7	-29.2	0	0	0	114.6	P207 I211	P207-N209 WeakPolarHBondContact CB-OD1 3.4Å; P207-N209 PolarHBondContact O-N 3.44Å; N209-I211 PolarHBondContact O-N 2.99Å
210	T	87.7	Confident	91.6	Very high	27 Å²	27	61.7 Å²	61.7	17%	0.166	32%	0.322	C	S	.	.			trans	-63.3	120.9	173.2	-61.7	0	0	0	0	109.9	I137 L206 P207 P208 M212	I137-T210 HydrophobicContact CG2-CG2 3.84Å; L206-T210 HydrophobicContact CB-CG2 4.39Å; L206-T210 HydrophobicContact CD1-CG2 4.11Å; L206-T210 HydrophobicContact CD2-CG2 4.28Å; L206-T210 HydrophobicContact CG-CG2 4.47Å; P207-T210 WeakPolarHBondContact CD-OG1 3.42Å; P207-T210 WeakPolarHBondContact O-CB 3.5Å; P207-T210 PolarHBondContact O-N 3.34Å; P207-T210 PolarHBondContact O-OG1 3.09Å; P208-T210 VanDerWaalsContact C-N 3.34Å; P208-T210 PolarHBondContact O-N 3.46Å; T210-M212 PolarHBondContact O-N 3.27Å
211	I	91.3	Very high	90.9	Very high	142 Å²	142	65.8 Å²	65.8	73%	0.728	34%	0.343	S	S	*	.			trans	-73.3	124.1	177.4	-60.5	170.6	0	0	0	108.4	N209	N209-I211 PolarHBondContact O-N 2.99Å
212	M	95.5	Very high	90.2	Very high	24 Å²	24	69.6 Å²	69.6	12%	0.118	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.2	172.1	-54.6	179.1	55.7	0	0	108	W135 I137 R197 L200 R201 L206 T210	W135-M212 HydrophobicContact CD2-CE 4.37Å; W135-M212 HydrophobicContact CE3-CB 3.79Å; W135-M212 HydrophobicContact CE3-CE 4.13Å; W135-M212 HydrophobicContact CZ3-CB 3.78Å; I137-M212 HydrophobicContact CD1-CE 4.22Å; I137-M212 HydrophobicContact CG1-CE 4.29Å; I137-M212 HydrophobicContact CG1-CG 4.09Å; R197-M212 HydrophobicContact CB-CE 4.37Å; R197-M212 HydrophobicContact CG-CE 3.81Å; R197-M212 HydrophobicContact CG-SD 4.04Å; L200-M212 HydrophobicContact CB-CE 3.67Å; L200-M212 HydrophobicContact CD1-CE 3.46Å; L200-M212 VanDerWaalsContact CD1-CE 3.46Å; L200-M212 HydrophobicContact CG-CE 4.23Å; R201-M212 HydrophobicContact CG-SD 3.64Å; L206-M212 HydrophobicContact CD1-SD 4.38Å; T210-M212 PolarHBondContact O-N 3.27Å
213	E	96.7	Very high	88.8	Confident	64 Å²	64	68 Å²	68	30%	0.299	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.3	-177.1	-175.8	179.8	-166.3	0	0	108.9	W135 I136 R138 K215	W135-E213 CarbonylContact C-O 3.47Å; I136-E213 HydrophobicContact CB-CB 4.45Å; I136-E213 WeakPolarHBondContact CB-O 3.39Å; I136-E213 PolarHBondContact N-O 3.27Å; I136-E213 PolarHBondContact O-N 3.25Å; R138-E213 IonicContact CZ-OE2 2.66Å; R138-E213 IonicContact NH1-OE2 3.78Å; R138-E213 PolarHBondContact NH1-OE2 3.29Å; R138-E213 IonicContact NH2-OE2 2.72Å; E213-K215 HydrophobicContact CG-CG 4.2Å; E213-K215 WeakPolarHBondContact OE1-CE 3.28Å; E213-K215 IonicContact OE1-NZ 3.19Å; E213-K215 PolarHBondContact OE1-NZ 3.02Å; E213-K215 VanDerWaalsContact OE2-CE 3.31Å; E213-K215 WeakPolarHBondContact OE2-CE 3.36Å; E213-K215 IonicContact OE2-NZ 3.74Å
214	Y	98	Very high	86.8	Confident	56 Å²	56	72.3 Å²	72.3	22%	0.22	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.7	169.6	-166.5	-98	0	0	0	109.5	G133 K134 W135 N184 A187 T193	G133-Y214 VanDerWaalsContact CA-OH 3.25Å; G133-Y214 WeakPolarHBondContact CA-OH 3.47Å; G133-Y214 PolarHBondContact N-OH 2.98Å; K134-Y214 WeakPolarHBondContact O-CA 3.46Å; K134-Y214 WeakPolarHBondContact O-CD2 3.25Å; W135-Y214 HydrophobicContact CB-CD2 4.46Å; W135-Y214 AromaticContact CD1-CD2 3.55Å; W135-Y214 AromaticContact CD1-CE2 3.89Å; W135-Y214 AromaticContact CD2-CD2 3.73Å; W135-Y214 HydrophobicContact CD2-CD2 3.73Å; W135-Y214 HydrophobicContact CD2-CG 4.39Å; W135-Y214 AromaticContact CE2-CD2 3.58Å; W135-Y214 HydrophobicContact CE3-CD2 4.47Å; W135-Y214 AromaticContact CG-CD2 3.71Å; W135-Y214 HydrophobicContact CG-CD2 3.71Å; W135-Y214 HydrophobicContact CG-CE2 4.38Å; W135-Y214 HydrophobicContact CZ2-CD2 4.2Å; W135-Y214 HydrophobicContact CZ2-CG 4.39Å; W135-Y214 AromaticContact NE1-CD2 3.5Å; W135-Y214 AromaticContact NE1-CE2 3.98Å; N184-Y214 WeakPolarHBondContact OD1-CE2 3.46Å; N184-Y214 PolarHBondContact OD1-OH 3.47Å; A187-Y214 WeakPolarHBondContact CA-OH 3.41Å; A187-Y214 HydrophobicContact CB-CE1 4.03Å; T193-Y214 HydrophobicContact CG2-CD2 4.37Å; T193-Y214 HydrophobicContact CG2-CE1 4.02Å; T193-Y214 HydrophobicContact CG2-CE2 3.65Å; T193-Y214 VanDerWaalsContact CG2-CZ 3.44Å; T193-Y214 WeakPolarHBondContact CG2-OH 3.43Å
215	K	96.7	Very high	84.8	Confident	49 Å²	49	75.1 Å²	75.1	21%	0.213	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.2	173.9	-65.4	-164.7	-177.2	-167.5	0	110.6	G133 K134 I136 E213	G133-K215 CarbonylContact C-O 3.18Å; G133-K215 WeakPolarHBondContact CA-O 3.08Å; K134-K215 PolarHBondContact N-O 3.18Å; K134-K215 PolarHBondContact O-N 2.85Å; I136-K215 HydrophobicContact CD1-CB 4.22Å; I136-K215 HydrophobicContact CD1-CD 3.73Å; I136-K215 HydrophobicContact CD1-CG 3.83Å; E213-K215 HydrophobicContact CG-CG 4.2Å; E213-K215 WeakPolarHBondContact OE1-CE 3.28Å; E213-K215 IonicContact OE1-NZ 3.19Å; E213-K215 PolarHBondContact OE1-NZ 3.02Å; E213-K215 VanDerWaalsContact OE2-CE 3.31Å; E213-K215 WeakPolarHBondContact OE2-CE 3.36Å; E213-K215 IonicContact OE2-NZ 3.74Å
216	T	97.2	Very high	82.3	Confident	29 Å²	29	80.3 Å²	80.3	18%	0.178	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	151.3	166.4	72.7	0	0	0	0	109.5	A187 T218 D219 S220	A187-T216 HydrophobicContact CB-CG2 3.89Å; T216-T218 VanDerWaalsContact C-N 3.29Å; T216-T218 PolarHBondContact OG1-OG1 3.21Å; T216-T218 VanDerWaalsContact OG1-OG1 3.06Å; T216-D219 WeakPolarHBondContact OG1-CB 3.38Å; T216-D219 PolarHBondContact OG1-N 3.38Å; T216-D219 PolarHBondContact OG1-OD2 2.78Å; T216-S220 PolarHBondContact O-N 3.36Å; T216-S220 VanDerWaalsContact O-N 3.16Å; T216-S220 PolarHBondContact O-OG 2.69Å
217	H	94.5	Very high	79.7	Confident	5 Å²	5	86.8 Å²	86.8	2%	0.023	47%	0.465	C	S	.	.	H	α-helix	trans	-65.9	-38.6	173.4	-68.2	-45.1	0	0	0	110.8	W124 N129 G132 G133 W183 D219 S220 I221	W124-H217 HydrophobicContact CB-CB 4.31Å; N129-H217 PolarHBondContact O-CD2 2.84Å; G132-H217 PolarHBondContact O-CD2 3.32Å; G132-H217 PolarHBondContact O-N 3.44Å; G133-H217 PolarHBondContact N-CD2 2.82Å; G133-H217 PolarHBondContact N-NE2 2.73Å; G133-H217 PolarHBondContact O-NE2 3.24Å; W183-H217 AromaticContact CD2-CE1 3.36Å; W183-H217 AromaticContact CD2-NE2 3.66Å; W183-H217 AromaticContact CE2-CE1 3.8Å; W183-H217 AromaticContact CE3-CE1 3.14Å; W183-H217 AromaticContact CE3-NE2 3.21Å; W183-H217 AromaticContact CH2-CE1 3.85Å; W183-H217 AromaticContact CZ3-CE1 3.4Å; W183-H217 VanDerWaalsContact CZ3-CE1 3.4Å; W183-H217 WeakPolarHBondContact CZ3-CE1 3.41Å; W183-H217 AromaticContact CZ3-ND1 3.93Å; W183-H217 AromaticContact CZ3-NE2 3.75Å; H217-D219 PolarHBondContact O-N 3.25Å; H217-S220 WeakPolarHBondContact O-CB 3.49Å; H217-S220 PolarHBondContact O-N 2.66Å; H217-S220 VanDerWaalsContact O-N 3.13Å; H217-I221 WeakPolarHBondContact O-CG1 3.38Å; H217-I221 PolarHBondContact O-N 3.24Å; H217-I221 VanDerWaalsContact O-N 3.14Å
218	T	92.7	Very high	77.4	Confident	65 Å²	65	85.4 Å²	85.4	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-58.3	-42.3	176.2	51.6	0	0	0	0	113.3	T216 I221 K222	T216-T218 VanDerWaalsContact C-N 3.29Å; T216-T218 PolarHBondContact OG1-OG1 3.21Å; T216-T218 VanDerWaalsContact OG1-OG1 3.06Å; T218-I221 WeakPolarHBondContact O-CB 3.49Å; T218-I221 PolarHBondContact O-N 2.85Å; T218-K222 PolarHBondContact O-N 3.22Å
219	D	91.7	Very high	75.3	Confident	85 Å²	85	85.3 Å²	85.3	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-72.5	-33.1	176.1	-64.1	-32.4	0	0	0	112.1	T216 H217 I221 K222 M223	T216-D219 WeakPolarHBondContact OG1-CB 3.38Å; T216-D219 PolarHBondContact OG1-N 3.38Å; T216-D219 PolarHBondContact OG1-OD2 2.78Å; H217-D219 PolarHBondContact O-N 3.25Å; D219-I221 PolarHBondContact O-N 3.44Å; D219-K222 PolarHBondContact O-N 2.93Å; D219-M223 VanDerWaalsContact O-CG 3.32Å; D219-M223 WeakPolarHBondContact O-CG 3.2Å; D219-M223 PolarHBondContact O-N 3.15Å
220	S	86.9	Confident	73.1	Confident	39 Å²	39	85.8 Å²	85.8	27%	0.273	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-25.9	174.7	-58.7	0	0	0	0	112	T216 H217	T216-S220 PolarHBondContact O-N 3.36Å; T216-S220 VanDerWaalsContact O-N 3.16Å; T216-S220 PolarHBondContact O-OG 2.69Å; H217-S220 WeakPolarHBondContact O-CB 3.49Å; H217-S220 PolarHBondContact O-N 2.66Å; H217-S220 VanDerWaalsContact O-N 3.13Å
221	I	82.3	Confident	70.8	Confident	89 Å²	89	90.8 Å²	90.8	46%	0.456	48%	0.476	S	S	.	.	H	α-helix	trans	-73.5	-46.9	175.3	-38.5	-149.7	0	0	0	112.8	W124 H217 T218 D219 M223	W124-I221 HydrophobicContact CD2-CD1 3.96Å; W124-I221 HydrophobicContact CD2-CG1 4.34Å; W124-I221 HydrophobicContact CE3-CB 3.93Å; W124-I221 HydrophobicContact CE3-CD1 3.2Å; W124-I221 HydrophobicContact CE3-CG1 3.18Å; W124-I221 HydrophobicContact CE3-CG2 4.25Å; W124-I221 HydrophobicContact CH2-CB 4.19Å; W124-I221 HydrophobicContact CH2-CD1 4.14Å; W124-I221 HydrophobicContact CH2-CG1 4.23Å; W124-I221 HydrophobicContact CH2-CG2 3.66Å; W124-I221 VanDerWaalsContact CZ3-CA 3.48Å; W124-I221 HydrophobicContact CZ3-CB 3.31Å; W124-I221 HydrophobicContact CZ3-CD1 3.34Å; W124-I221 HydrophobicContact CZ3-CG1 3.13Å; W124-I221 HydrophobicContact CZ3-CG2 3.31Å; H217-I221 WeakPolarHBondContact O-CG1 3.38Å; H217-I221 PolarHBondContact O-N 3.24Å; H217-I221 VanDerWaalsContact O-N 3.14Å; T218-I221 WeakPolarHBondContact O-CB 3.49Å; T218-I221 PolarHBondContact O-N 2.85Å; D219-I221 PolarHBondContact O-N 3.44Å; I221-M223 PolarHBondContact O-N 3.45Å
222	K	79.8	Confident	68.2	Low	164 Å²	164	89.3 Å²	89.3	71%	0.713	47%	0.469	S	S	*	.	H	α-helix	trans	-73.5	-23.4	-171.5	-66.4	174.4	-176.4	176	0	111.8	T218 D219 P224	T218-K222 PolarHBondContact O-N 3.22Å; D219-K222 PolarHBondContact O-N 2.93Å; K222-P224 WeakPolarHBondContact O-CD 3.36Å
223	M	66.6	Low	65.4	Low	97 Å²	97	93.4 Å²	93.4	48%	0.478	49%	0.491	S	S	.	.	S	Bend	trans	-64.9	108.9	175.6	-78.5	-94.5	-166.5	0	0	110.4	D219 I221 G225	D219-M223 VanDerWaalsContact O-CG 3.32Å; D219-M223 WeakPolarHBondContact O-CG 3.2Å; D219-M223 PolarHBondContact O-N 3.15Å; I221-M223 PolarHBondContact O-N 3.45Å; M223-G225 PolarHBondContact O-N 3.17Å; M223-G225 VanDerWaalsContact O-N 3.13Å
224	P	55.3	Low	62.7	Low	113 Å²	113	98.6 Å²	98.6	73%	0.734	51%	0.513	S	S	*	.			trans	-61	122.3	166.8	-12.1	29.2	0	0	0	106	K222 R226	K222-P224 WeakPolarHBondContact O-CD 3.36Å; P224-R226 PolarHBondContact O-N 3.41Å
225	G	53	Low	60	Low	67 Å²	67	102.8 Å²	102.8	69%	0.691	53%	0.534	S	S	*	.			trans	-48.1	110.9	-173	0	0	0	0	0	109.2	M223 L227	M223-G225 PolarHBondContact O-N 3.17Å; M223-G225 VanDerWaalsContact O-N 3.13Å; G225-L227 VanDerWaalsContact C-N 3.31Å; G225-L227 PolarHBondContact O-N 3.26Å
226	R	36.4	Very low	57.4	Low	227 Å²	227	105.4 Å²	105.4	86%	0.857	55%	0.551	S	S	*	*			trans	-44.7	97.9	-169.6	-80.4	-168.6	-174.3	-156.7	2.9	109.6	P224 G228	P224-R226 PolarHBondContact O-N 3.41Å; R226-G228 PolarHBondContact O-N 2.78Å
227	L	29.4	Very low	54.8	Low	159 Å²	159	110.3 Å²	110.3	83%	0.832	58%	0.575	S	S	*	*			trans	-71.4	73.7	160	-80.2	154.8	0	0	0	104.6	G225	G225-L227 VanDerWaalsContact C-N 3.31Å; G225-L227 PolarHBondContact O-N 3.26Å
228	G	31.3	Very low	52.2	Low	39 Å²	39	121.3 Å²	121.3	40%	0.402	62%	0.617	S	S	.	*			trans	-67.5	150.5	161	0	0	0	0	0	108.5	R226 Q230	R226-G228 PolarHBondContact O-N 2.78Å; G228-Q230 PolarHBondContact O-N 3.44Å
229	P	35.3	Very low	49.9	Very low	117 Å²	117	126.1 Å²	126.1	76%	0.76	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-63.2	5.1	-176.4	23.1	-31.9	0	0	0	115.4	R231	P229-R231 VanDerWaalsContact C-N 3.35Å; P229-R231 PolarHBondContact O-N 3.02Å
230	Q	36.2	Very low	47.7	Very low	144 Å²	144	127.2 Å²	127.2	67%	0.673	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-76.6	-11.6	-178.6	-88.6	-177.3	-3.8	0	0	115.3	G228 L232	G228-Q230 PolarHBondContact O-N 3.44Å; Q230-L232 VanDerWaalsContact C-N 3.33Å
231	R	39.6	Very low	45.8	Very low	132 Å²	132	137.3 Å²	137.3	50%	0.498	68%	0.676	S	S	.	*	G	3₁₀ helix	trans	-79.9	-13.7	178.7	-131.2	178.1	-174.7	-132.6	-12.8	114.6	P69 P229	P69-R231 PolarHBondContact O-NH2 3.12Å; P229-R231 VanDerWaalsContact C-N 3.35Å; P229-R231 PolarHBondContact O-N 3.02Å
232	L	36.6	Very low	44	Very low	112 Å²	112	140.7 Å²	140.7	59%	0.586	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-84	-7	177.8	-75.6	161.9	0	0	0	113.9	Q230 N236	Q230-L232 VanDerWaalsContact C-N 3.33Å; L232-N236 PolarHBondContact O-ND2 3.5Å
233	L	37.4	Very low	42.4	Very low	109 Å²	109	140.3 Å²	140.3	57%	0.571	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-24.9	176.6	-80.7	163	0	0	0	113.3	L237	L233-L237 VanDerWaalsContact O-CD1 3.23Å; L233-L237 WeakPolarHBondContact O-CD1 3.23Å
234	F	39.8	Very low	41.3	Very low	173 Å²	173	142.2 Å²	142.2	76%	0.759	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-17.4	179.6	-82.2	-84.3	0	0	0	114.5
235	Q	40.9	Very low	41.6	Very low	144 Å²	144	146.1 Å²	146.1	67%	0.673	74%	0.742	S	S	*	*	S	Bend	trans	-90.8	-15.1	174.2	-77.9	-178.9	-18.2	0	0	113.8
236	N	42.3	Very low	41	Very low	104 Å²	104	150.1 Å²	150.1	56%	0.556	75%	0.745	S	S	*	*	S	Bend	trans	-102.8	1.7	-178.6	-72.6	-38.9	0	0	0	114.6	L232	L232-N236 PolarHBondContact O-ND2 3.5Å
237	L	42.4	Very low	41.3	Very low	133 Å²	133	146 Å²	146	70%	0.696	74%	0.739	S	S	*	*	S	Bend	trans	-105.4	5.5	179.8	-97.9	136.9	0	0	0	114.3	L233	L233-L237 VanDerWaalsContact O-CD1 3.23Å; L233-L237 WeakPolarHBondContact O-CD1 3.23Å
238	W	39.7	Very low	41.9	Very low	236 Å²	236	145.3 Å²	145.3	89%	0.894	73%	0.734	S	S	*	*			trans	-126.5	26.4	177.1	-90.9	76.6	0	0	0	113.5	P240	W238-P240 WeakPolarHBondContact O-CD 3.39Å
239	K	44.4	Very low	42.6	Very low	165 Å²	165	151.5 Å²	151.5	72%	0.717	75%	0.753	S	S	*	*			trans	-82.3	118.2	163.5	-75.6	-167.9	176.1	-167.8	0	108.9	R241	K239-R241 PolarHBondContact O-N 3.18Å
240	P	46.7	Very low	43	Very low	109 Å²	109	153.7 Å²	153.7	71%	0.708	75%	0.753	S	S	*	*			trans	-59.1	121.9	166.6	-14.6	28.4	0	0	0	107.6	W238 L242	W238-P240 WeakPolarHBondContact O-CD 3.39Å; P240-L242 VanDerWaalsContact C-N 3.26Å; P240-L242 PolarHBondContact O-N 2.92Å
241	R	45.8	Very low	43.5	Very low	250 Å²	250	154.3 Å²	154.3	94%	0.943	76%	0.758	S	S	*	*			trans	-67.7	91.1	166.2	-75.7	-174.5	177	-157.7	0.3	107.6	K239	K239-R241 PolarHBondContact O-N 3.18Å
242	L	45.1	Very low	43.8	Very low	160 Å²	160	155.9 Å²	155.9	84%	0.838	78%	0.777	S	S	*	*			trans	-109.1	92.9	158.2	-73.2	171.5	0	0	0	106.6	P240	P240-L242 VanDerWaalsContact C-N 3.26Å; P240-L242 PolarHBondContact O-N 2.92Å
243	N	45.4	Very low	44.3	Very low	157 Å²	157	159.3 Å²	159.3	84%	0.84	79%	0.791	S	S	*	*			trans	-157.9	108.5	156.3	-135.7	18.2	0	0	0	108.7
244	V	45.1	Very low	44.9	Very low	137 Å²	137	163.5 Å²	163.5	83%	0.83	81%	0.809	S	S	*	*			trans	-140.9	134.2	160.3	-177.2	0	0	0	0	103.2
245	P	61.1	Low	45.4	Very low	194 Å²	194	162.6 Å²	162.6	100%	1.26	81%	0.814	S	S	*	*			trans	-58.2	0	-150.6	22	-36.5	0	0	0	117.1

Retrieved 245 of 245 residues in 641.3 ms (Link to these results)

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