MSRR_STAA8 Loading...

Regulatory protein MsrR

Involved in SarA attenuation. Affects resistance to oxacillin and teicoplanin, as well as the synthesis of virulence factors.

AlphaFold DB , UniProt , Accession Q7BHL7, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene msrR, Length 327 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	39	Very low	225 Å²	225	169.9 Å²	169.9	100%	1.108	81%	0.813	S	S	*	*				0	131.9	0	-142.6	144.5	89.9	0	0	106.4
2	D	39.5	Very low	39	Very low	125 Å²	125	174.8 Å²	174.8	67%	0.668	82%	0.817	S	S	*	*			trans	74.2	132.6	169.3	-56.7	-7.1	0	0	0	116
3	K	39.1	Very low	38.9	Very low	177 Å²	177	173.2 Å²	173.2	77%	0.77	81%	0.809	S	S	*	*			cis	-161.8	136.7	6	-116	163.6	-173.3	171.6	0	108
4	E	37	Very low	39.3	Very low	186 Å²	186	168.8 Å²	168.8	87%	0.869	81%	0.807	S	S	*	*			trans	-57.2	147.3	157	-69.3	167.7	136.3	0	0	110.8
5	T	40.8	Very low	39.7	Very low	134 Å²	134	170.1 Å²	170.1	82%	0.822	81%	0.812	S	S	*	*			trans	174.3	137.5	154.3	19.3	0	0	0	0	106.1
6	N	39.4	Very low	40	Very low	140 Å²	140	170.8 Å²	170.8	75%	0.749	81%	0.814	S	S	*	*			cis	-165.7	148.2	-10.9	-171.4	6.8	0	0	0	104.3
7	D	42.2	Very low	40.4	Very low	135 Å²	135	175.4 Å²	175.4	72%	0.722	82%	0.821	S	S	*	*			trans	-55.7	138.2	179.4	-67.8	-52.3	0	0	0	112.7
8	N	42.3	Very low	40.9	Very low	149 Å²	149	172.9 Å²	172.9	80%	0.797	82%	0.82	S	S	*	*			trans	-128.7	72.8	157.3	-95.7	-33.7	0	0	0	108.7	Y10	N8-Y10 PolarHBondContact O-N 3.35Å
9	E	39.1	Very low	41.6	Very low	161 Å²	161	169.9 Å²	169.9	75%	0.752	82%	0.82	S	S	*	*			trans	-70.9	103.1	159.8	-109.4	-167.7	154.4	0	0	109
10	Y	39.1	Very low	42.2	Very low	218 Å²	218	166 Å²	166	86%	0.855	82%	0.816	S	S	*	*			trans	-116.5	103.9	158.7	-86.1	-86.7	0	0	0	109.6	N8	N8-Y10 PolarHBondContact O-N 3.35Å
11	R	34.8	Very low	42.7	Very low	219 Å²	219	163.8 Å²	163.8	83%	0.826	82%	0.815	S	S	*	*			trans	-106.8	123.8	179.4	-167.3	-180	-174	178.7	2	107.4
12	R	39.1	Very low	43.3	Very low	229 Å²	229	162.9 Å²	162.9	86%	0.864	81%	0.805	S	S	*	*			trans	150.4	140.9	160.6	-89.3	175.6	-155	-156.8	8.6	107.9
13	Q	37.1	Very low	43.6	Very low	153 Å²	153	168.5 Å²	168.5	72%	0.715	82%	0.816	S	S	*	*			cis	-163.6	145	-5	-130.9	165.9	-24.6	0	0	106.3
14	S	45	Very low	44	Very low	112 Å²	112	169.9 Å²	169.9	78%	0.783	82%	0.822	S	S	*	*			trans	-15.3	120.4	162.2	52.4	0	0	0	0	118.6
15	E	45.4	Very low	44.2	Very low	189 Å²	189	170.7 Å²	170.7	88%	0.883	82%	0.823	S	S	*	*			trans	-126.4	123.5	158.1	-77.1	-170.1	162.4	0	0	111.9
16	H	44.3	Very low	44.5	Very low	181 Å²	181	174.1 Å²	174.1	84%	0.838	83%	0.826	S	S	*	*			trans	10.4	102.6	162.6	-84.8	-59.7	0	0	0	119.9	T18	H16-T18 PolarHBondContact O-N 3.39Å; H16-T18 VanDerWaalsContact O-N 3.15Å
17	R	46.9	Very low	45.1	Very low	248 Å²	248	176.9 Å²	176.9	94%	0.936	83%	0.832	S	S	*	*			trans	-73.9	97.5	153.8	-70.1	-177.1	178.6	-173.7	-0.1	109.6	S19	R17-S19 PolarHBondContact O-N 3.41Å
18	T	49.8	Very low	45.6	Very low	131 Å²	131	178.2 Å²	178.2	80%	0.804	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-56.3	119.4	167.9	45.7	0	0	0	0	110.8	H16 A20	H16-T18 PolarHBondContact O-N 3.39Å; H16-T18 VanDerWaalsContact O-N 3.15Å; T18-A20 PolarHBondContact O-N 2.92Å
19	S	52.8	Low	46.4	Very low	116 Å²	116	177.2 Å²	177.2	81%	0.811	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.9	119.6	175.3	50.4	0	0	0	0	110.5	R17	R17-S19 PolarHBondContact O-N 3.41Å
20	A	54.8	Low	47.9	Very low	91 Å²	91	178.5 Å²	178.5	75%	0.752	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.4	134.2	-178.8	0	0	0	0	0	111.8	T18 K22	T18-A20 PolarHBondContact O-N 2.92Å; A20-K22 PolarHBondContact O-N 3.46Å
21	P	53.3	Low	49.7	Very low	121 Å²	121	175.8 Å²	175.8	79%	0.786	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-71.5	124.8	-177.6	25.7	-31.3	0	0	0	111.9	R23	P21-R23 PolarHBondContact O-N 3.29Å
22	K	46.7	Very low	51.9	Low	206 Å²	206	169.5 Å²	169.5	90%	0.896	80%	0.798	S	S	*	*			trans	-59.8	105.3	176.3	-71.2	-178.9	178.6	177	0	110.7	A20 K24	A20-K22 PolarHBondContact O-N 3.46Å; K22-K24 PolarHBondContact O-N 2.9Å; K22-K24 VanDerWaalsContact O-N 3.09Å
23	R	47.3	Very low	54.2	Low	243 Å²	243	162.6 Å²	162.6	92%	0.917	78%	0.782	S	S	*	*			trans	-59.5	106.4	174.1	-77.7	179.1	168.7	178.9	-3.3	111.1	P21 K25	P21-R23 PolarHBondContact O-N 3.29Å; R23-K25 PolarHBondContact O-N 3.3Å
24	K	45.8	Very low	56.7	Low	205 Å²	205	160 Å²	160	89%	0.891	77%	0.772	S	S	*	*			trans	-65.7	111.2	169.2	-72.6	-175.7	178.2	179.3	0	109.6	K22 K26	K22-K24 PolarHBondContact O-N 2.9Å; K22-K24 VanDerWaalsContact O-N 3.09Å; K24-K26 PolarHBondContact O-N 2.87Å
25	K	43	Very low	58.8	Low	204 Å²	204	159.2 Å²	159.2	89%	0.887	76%	0.758	S	S	*	*			trans	-65.2	108.7	177	-71.8	-178.5	176.7	178.1	0	110.2	R23 K27	R23-K25 PolarHBondContact O-N 3.3Å; K25-K27 PolarHBondContact O-N 3.36Å
26	K	46.5	Very low	60.9	Low	205 Å²	205	154.9 Å²	154.9	89%	0.891	74%	0.74	S	S	*	*			trans	-66.7	114.2	170.8	-64.9	-173	177.6	-177.3	0	109.2	K24 K28	K24-K26 PolarHBondContact O-N 2.87Å; K26-K28 PolarHBondContact O-N 3.21Å
27	K	51.5	Low	63.1	Low	199 Å²	199	151.3 Å²	151.3	87%	0.865	73%	0.727	S	S	*	*			trans	-67.1	123.8	176.3	-72.6	-175.6	177.4	-179.7	0	109.4	K25 I29	K25-K27 PolarHBondContact O-N 3.36Å; K27-I29 PolarHBondContact O-N 3.27Å
28	K	53.7	Low	65.1	Low	163 Å²	163	143.9 Å²	143.9	71%	0.709	71%	0.705	S	S	*	*			trans	-74.1	111.1	-177.5	-80.8	178	174.5	174.9	0	111.2	K26 R30	K26-K28 PolarHBondContact O-N 3.21Å; K28-R30 HydrophobicContact CB-CG 4.41Å; K28-R30 PolarHBondContact O-N 3.47Å
29	I	59.2	Low	67	Low	127 Å²	127	141 Å²	141	65%	0.651	69%	0.687	S	S	*	*			trans	-82.1	42.1	179.1	-55.6	166.7	0	0	0	111.4	K27 K31 L32	K27-I29 PolarHBondContact O-N 3.27Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 3Å; I29-L32 HydrophobicContact CG2-CB 3.4Å; I29-L32 VanDerWaalsContact CG2-CB 3.4Å; I29-L32 HydrophobicContact CG2-CD2 3.7Å; I29-L32 HydrophobicContact CG2-CG 4.11Å; I29-L32 PolarHBondContact O-N 3.05Å
30	R	69.7	Low	68.8	Low	189 Å²	189	139 Å²	139	71%	0.713	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-21.4	-171.3	-80.6	-175.5	176.5	-178	-4.6	115.3	K28	K28-R30 HydrophobicContact CB-CG 4.41Å; K28-R30 PolarHBondContact O-N 3.47Å
31	K	76.7	Confident	70.4	Confident	160 Å²	160	139.3 Å²	139.3	70%	0.696	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-12	-177.3	-62.8	-161.9	179.1	-170.9	0	114.4	I29 I34 I35	I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 3Å; K31-I34 PolarHBondContact O-N 2.86Å; K31-I35 HydrophobicContact CB-CD1 4.22Å; K31-I35 WeakPolarHBondContact O-CG1 3.36Å; K31-I35 PolarHBondContact O-N 3.24Å
32	L	81.9	Confident	72.2	Confident	88 Å²	88	138.8 Å²	138.8	46%	0.461	65%	0.648	S	S	.	*	H	α-helix	trans	-57.3	-43.9	-178.2	-170.5	69.9	0	0	0	114.2	I29 I34 I35 L36	I29-L32 HydrophobicContact CG2-CB 3.4Å; I29-L32 VanDerWaalsContact CG2-CB 3.4Å; I29-L32 HydrophobicContact CG2-CD2 3.7Å; I29-L32 HydrophobicContact CG2-CG 4.11Å; I29-L32 PolarHBondContact O-N 3.05Å; L32-I34 VanDerWaalsContact C-N 3.29Å; L32-I34 PolarHBondContact O-N 2.9Å; L32-I35 PolarHBondContact O-N 3.33Å; L32-L36 HydrophobicContact CD2-CD1 4.49Å; L32-L36 HydrophobicContact CG-CD1 3.97Å; L32-L36 HydrophobicContact CG-CG 4.38Å; L32-L36 WeakPolarHBondContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 3.33Å
33	P	86.8	Confident	74.2	Confident	83 Å²	83	133.7 Å²	133.7	54%	0.539	63%	0.63	S	S	.	*	H	α-helix	trans	-64.7	-33.7	178.9	24.5	-34	0	0	0	112.7	L37	P33-L37 WeakPolarHBondContact O-CB 3.31Å; P33-L37 PolarHBondContact O-N 3.48Å
34	I	89.3	Confident	76.1	Confident	100 Å²	100	126.9 Å²	126.9	51%	0.513	61%	0.611	S	S	.	*	H	α-helix	trans	-70	-42.8	176.8	-60.4	172.7	0	0	0	110.3	K31 L32 L36 L37 I38	K31-I34 PolarHBondContact O-N 2.86Å; L32-I34 VanDerWaalsContact C-N 3.29Å; L32-I34 PolarHBondContact O-N 2.9Å; I34-L36 VanDerWaalsContact C-N 3.35Å; I34-L37 PolarHBondContact O-N 3.28Å; I34-I38 HydrophobicContact CG2-CD1 4.02Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 2.93Å
35	I	88.7	Confident	78.2	Confident	94 Å²	94	119.8 Å²	119.8	48%	0.482	59%	0.59	S	S	.	*	H	α-helix	trans	-62.3	-45.2	176.1	-65.9	165.6	0	0	0	110	K31 L32 L37 I38 V39	K31-I35 HydrophobicContact CB-CD1 4.22Å; K31-I35 WeakPolarHBondContact O-CG1 3.36Å; K31-I35 PolarHBondContact O-N 3.24Å; L32-I35 PolarHBondContact O-N 3.33Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 3.49Å; I35-I38 PolarHBondContact O-N 3.15Å; I35-V39 HydrophobicContact CG2-CG2 4.46Å; I35-V39 VanDerWaalsContact O-CG2 3.29Å; I35-V39 WeakPolarHBondContact O-CG2 3.43Å; I35-V39 PolarHBondContact O-N 3.46Å
36	L	89.6	Confident	80.3	Confident	98 Å²	98	114.2 Å²	114.2	51%	0.513	57%	0.57	S	S	.	*	H	α-helix	trans	-59.7	-43.8	175.7	-75	167.7	0	0	0	111.5	L32 I34 V39 V40	L32-L36 HydrophobicContact CD2-CD1 4.49Å; L32-L36 HydrophobicContact CG-CD1 3.97Å; L32-L36 HydrophobicContact CG-CG 4.38Å; L32-L36 WeakPolarHBondContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 3.33Å; I34-L36 VanDerWaalsContact C-N 3.35Å; L36-V39 PolarHBondContact O-N 3.31Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.35Å; L36-V40 PolarHBondContact O-N 2.92Å
37	L	90.6	Very high	82.2	Confident	107 Å²	107	108.8 Å²	108.8	56%	0.56	55%	0.553	S	S	*	*	H	α-helix	trans	-61	-45.3	176.7	-177.1	66.2	0	0	0	112	P33 I34 I35 V39 V40 I41	P33-L37 WeakPolarHBondContact O-CB 3.31Å; P33-L37 PolarHBondContact O-N 3.48Å; I34-L37 PolarHBondContact O-N 3.28Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 3.49Å; L37-V39 VanDerWaalsContact C-N 3.35Å; L37-V39 PolarHBondContact O-N 3.3Å; L37-V40 PolarHBondContact O-N 2.95Å; L37-I41 HydrophobicContact CD1-CD1 4.4Å; L37-I41 HydrophobicContact CG-CD1 4.07Å; L37-I41 WeakPolarHBondContact O-CG1 3.33Å; L37-I41 PolarHBondContact O-N 3.41Å
38	I	90.6	Very high	84.1	Confident	91 Å²	91	103.7 Å²	103.7	47%	0.467	54%	0.539	S	S	.	.	H	α-helix	trans	-62.3	-43.3	177	-68.4	167.1	0	0	0	110.7	I34 I35 V40 I41 L42	I34-I38 HydrophobicContact CG2-CD1 4.02Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 2.93Å; I35-I38 PolarHBondContact O-N 3.15Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-V40 PolarHBondContact O-N 3.39Å; I38-I41 PolarHBondContact O-N 3.33Å; I38-L42 HydrophobicContact CG2-CD1 3.98Å; I38-L42 HydrophobicContact CG2-CG 4.38Å; I38-L42 WeakPolarHBondContact O-CB 3.36Å; I38-L42 VanDerWaalsContact O-CG 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.33Å; I38-L42 PolarHBondContact O-N 3.19Å
39	V	89.2	Confident	85.8	Confident	70 Å²	70	100.5 Å²	100.5	42%	0.424	52%	0.523	S	S	.	.	H	α-helix	trans	-61.2	-43.7	176.5	170.6	0	0	0	0	110.8	I35 L36 L37 L42 L43	I35-V39 HydrophobicContact CG2-CG2 4.46Å; I35-V39 VanDerWaalsContact O-CG2 3.29Å; I35-V39 WeakPolarHBondContact O-CG2 3.43Å; I35-V39 PolarHBondContact O-N 3.46Å; L36-V39 PolarHBondContact O-N 3.31Å; L37-V39 VanDerWaalsContact C-N 3.35Å; L37-V39 PolarHBondContact O-N 3.3Å; V39-L42 PolarHBondContact O-N 3.04Å; V39-L43 HydrophobicContact CG1-CD1 4.03Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.29Å; V39-L43 VanDerWaalsContact O-CG 3.28Å; V39-L43 WeakPolarHBondContact O-CG 3.31Å; V39-L43 PolarHBondContact O-N 2.86Å
40	V	89.3	Confident	87.2	Confident	74 Å²	74	97.9 Å²	97.9	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-44.4	176.7	171.1	0	0	0	0	111.3	L36 L37 I38 L42 L43 I44	L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.35Å; L36-V40 PolarHBondContact O-N 2.92Å; L37-V40 PolarHBondContact O-N 2.95Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-V40 PolarHBondContact O-N 3.39Å; V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.27Å; V40-L43 PolarHBondContact O-N 3.16Å; V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.44Å; V40-I44 VanDerWaalsContact O-CG1 3.31Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 3.34Å
41	I	89.4	Confident	88	Confident	99 Å²	99	92.4 Å²	92.4	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-43.5	176.4	-68.8	167.2	0	0	0	111	L37 I38 I44 A45	L37-I41 HydrophobicContact CD1-CD1 4.4Å; L37-I41 HydrophobicContact CG-CD1 4.07Å; L37-I41 WeakPolarHBondContact O-CG1 3.33Å; L37-I41 PolarHBondContact O-N 3.41Å; I38-I41 PolarHBondContact O-N 3.33Å; I41-I44 PolarHBondContact O-N 3.18Å; I41-A45 WeakPolarHBondContact O-CB 3.47Å; I41-A45 PolarHBondContact O-N 3.09Å
42	L	90.4	Very high	88.7	Confident	110 Å²	110	91.1 Å²	91.1	58%	0.576	49%	0.493	S	S	*	.	H	α-helix	trans	-64.3	-39	176.7	-72.5	173.2	0	0	0	112	I38 V39 V40 A45 L46	I38-L42 HydrophobicContact CG2-CD1 3.98Å; I38-L42 HydrophobicContact CG2-CG 4.38Å; I38-L42 WeakPolarHBondContact O-CB 3.36Å; I38-L42 VanDerWaalsContact O-CG 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.33Å; I38-L42 PolarHBondContact O-N 3.19Å; V39-L42 PolarHBondContact O-N 3.04Å; V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.27Å; L42-A45 PolarHBondContact O-N 3.38Å; L42-L46 VanDerWaalsContact O-CB 3.23Å; L42-L46 WeakPolarHBondContact O-CB 3.19Å; L42-L46 PolarHBondContact O-N 2.87Å
43	L	88.9	Confident	89	Confident	98 Å²	98	87.4 Å²	87.4	51%	0.513	47%	0.474	S	S	.	.	H	α-helix	trans	-65.6	-42.2	174.9	-73	172.6	0	0	0	111.6	V39 V40 L46 V47	V39-L43 HydrophobicContact CG1-CD1 4.03Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.29Å; V39-L43 VanDerWaalsContact O-CG 3.28Å; V39-L43 WeakPolarHBondContact O-CG 3.31Å; V39-L43 PolarHBondContact O-N 2.86Å; V40-L43 PolarHBondContact O-N 3.16Å; L43-L46 WeakPolarHBondContact O-CB 3.34Å; L43-L46 PolarHBondContact O-N 3.34Å; L43-V47 VanDerWaalsContact O-CG2 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.49Å; L43-V47 PolarHBondContact O-N 2.89Å
44	I	87.8	Confident	89	Confident	101 Å²	101	86.9 Å²	86.9	52%	0.518	46%	0.462	S	S	.	.	H	α-helix	trans	-63.8	-48	175.8	-67.5	166.7	0	0	0	110.1	V40 I41 L46 V47 V48	V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.44Å; V40-I44 VanDerWaalsContact O-CG1 3.31Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 3.34Å; I41-I44 PolarHBondContact O-N 3.18Å; I44-L46 VanDerWaalsContact C-N 3.26Å; I44-L46 PolarHBondContact O-N 2.91Å; I44-V47 PolarHBondContact O-N 3.24Å; I44-V47 VanDerWaalsContact O-N 3.16Å; I44-V48 HydrophobicContact CG2-CG2 4.34Å; I44-V48 WeakPolarHBondContact O-CG2 3.47Å; I44-V48 PolarHBondContact O-N 2.88Å
45	A	89.6	Confident	88.9	Confident	55 Å²	55	86.3 Å²	86.3	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-59.1	-39.2	176.8	0	0	0	0	0	111.8	I41 L42 Y49	I41-A45 WeakPolarHBondContact O-CB 3.47Å; I41-A45 PolarHBondContact O-N 3.09Å; L42-A45 PolarHBondContact O-N 3.38Å; A45-Y49 VanDerWaalsContact O-CB 3.28Å; A45-Y49 WeakPolarHBondContact O-CB 3.36Å; A45-Y49 PolarHBondContact O-N 3.23Å
46	L	87.2	Confident	88.9	Confident	88 Å²	88	83.5 Å²	83.5	46%	0.461	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-45.2	174.7	-179.7	64.6	0	0	0	111.8	L42 L43 I44 Y49 I50	L42-L46 VanDerWaalsContact O-CB 3.23Å; L42-L46 WeakPolarHBondContact O-CB 3.19Å; L42-L46 PolarHBondContact O-N 2.87Å; L43-L46 WeakPolarHBondContact O-CB 3.34Å; L43-L46 PolarHBondContact O-N 3.34Å; I44-L46 VanDerWaalsContact C-N 3.26Å; I44-L46 PolarHBondContact O-N 2.91Å; L46-Y49 PolarHBondContact O-N 2.88Å; L46-I50 HydrophobicContact CD1-CD1 4.14Å; L46-I50 HydrophobicContact CD1-CG1 4.41Å; L46-I50 HydrophobicContact CG-CD1 3.94Å; L46-I50 WeakPolarHBondContact O-CB 3.24Å; L46-I50 VanDerWaalsContact O-CG1 3.24Å; L46-I50 WeakPolarHBondContact O-CG1 3.5Å; L46-I50 PolarHBondContact O-N 3.33Å
47	V	87.2	Confident	88.7	Confident	90 Å²	90	78.9 Å²	78.9	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-46	177	170.8	0	0	0	0	110.9	L43 I44 Y49 I50 V51	L43-V47 VanDerWaalsContact O-CG2 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.49Å; L43-V47 PolarHBondContact O-N 2.89Å; I44-V47 PolarHBondContact O-N 3.24Å; I44-V47 VanDerWaalsContact O-N 3.16Å; V47-Y49 VanDerWaalsContact C-N 3.31Å; V47-Y49 PolarHBondContact O-N 3.42Å; V47-I50 PolarHBondContact O-N 2.88Å; V47-V51 HydrophobicContact CG1-CG2 4.36Å; V47-V51 WeakPolarHBondContact O-CG2 3.36Å; V47-V51 PolarHBondContact O-N 3.43Å
48	V	90.3	Very high	88.4	Confident	92 Å²	92	75.1 Å²	75.1	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-58.4	-44.7	175.5	171.3	0	0	0	0	110.6	I44 V51 H52	I44-V48 HydrophobicContact CG2-CG2 4.34Å; I44-V48 WeakPolarHBondContact O-CG2 3.47Å; I44-V48 PolarHBondContact O-N 2.88Å; V48-V51 PolarHBondContact O-N 2.92Å; V48-H52 WeakPolarHBondContact O-CB 3.28Å; V48-H52 PolarHBondContact O-N 3.36Å
49	Y	90	Very high	88.1	Confident	96 Å²	96	75.6 Å²	75.6	38%	0.376	41%	0.406	S	S	.	.	H	α-helix	trans	-61.4	-45.6	176.2	172.8	-96.6	0	0	0	112.5	A45 L46 V47 S53 V249	A45-Y49 VanDerWaalsContact O-CB 3.28Å; A45-Y49 WeakPolarHBondContact O-CB 3.36Å; A45-Y49 PolarHBondContact O-N 3.23Å; L46-Y49 PolarHBondContact O-N 2.88Å; V47-Y49 VanDerWaalsContact C-N 3.31Å; V47-Y49 PolarHBondContact O-N 3.42Å; Y49-S53 WeakPolarHBondContact CE2-OG 3.46Å; Y49-S53 WeakPolarHBondContact O-CB 3.23Å; Y49-S53 PolarHBondContact O-N 2.81Å; Y49-S53 PolarHBondContact O-OG 3.46Å; Y49-V249 HydrophobicContact CE1-CG1 4.12Å; Y49-V249 WeakPolarHBondContact CE1-O 3.43Å; Y49-V249 WeakPolarHBondContact OH-CG1 3.43Å; Y49-V249 PolarHBondContact OH-O 2.91Å
50	I	87.5	Confident	87.8	Confident	73 Å²	73	75.3 Å²	75.3	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-49.2	179.1	-71.7	167.2	0	0	0	110.2	L46 V47 S53 Y54 P252	L46-I50 HydrophobicContact CD1-CD1 4.14Å; L46-I50 HydrophobicContact CD1-CG1 4.41Å; L46-I50 HydrophobicContact CG-CD1 3.94Å; L46-I50 WeakPolarHBondContact O-CB 3.24Å; L46-I50 VanDerWaalsContact O-CG1 3.24Å; L46-I50 WeakPolarHBondContact O-CG1 3.5Å; L46-I50 PolarHBondContact O-N 3.33Å; V47-I50 PolarHBondContact O-N 2.88Å; I50-S53 PolarHBondContact O-N 3.49Å; I50-Y54 VanDerWaalsContact O-CB 3.23Å; I50-Y54 WeakPolarHBondContact O-CB 3.34Å; I50-Y54 PolarHBondContact O-N 2.92Å; I50-P252 HydrophobicContact CB-CB 4.45Å; I50-P252 HydrophobicContact CB-CG 4.27Å; I50-P252 HydrophobicContact CG1-CG 3.93Å; I50-P252 HydrophobicContact CG2-CB 4.09Å; I50-P252 HydrophobicContact CG2-CG 4.12Å
51	V	87.6	Confident	87.4	Confident	74 Å²	74	71.8 Å²	71.8	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-64.2	-46.2	-179.6	172.8	0	0	0	0	111	V47 V48 Y54 N55	V47-V51 HydrophobicContact CG1-CG2 4.36Å; V47-V51 WeakPolarHBondContact O-CG2 3.36Å; V47-V51 PolarHBondContact O-N 3.43Å; V48-V51 PolarHBondContact O-N 2.92Å; V51-Y54 PolarHBondContact O-N 2.87Å; V51-N55 WeakPolarHBondContact O-CB 3.23Å; V51-N55 VanDerWaalsContact O-CG 3.25Å; V51-N55 PolarHBondContact O-N 3.49Å; V51-N55 PolarHBondContact O-ND2 3.33Å
52	H	91.5	Very high	86.9	Confident	133 Å²	133	74.9 Å²	74.9	62%	0.616	39%	0.387	S	S	*	.	H	α-helix	trans	-62.3	-48.8	178.1	-179.3	73.9	0	0	0	111.5	V48 Y54 N55 S56	V48-H52 WeakPolarHBondContact O-CB 3.28Å; V48-H52 PolarHBondContact O-N 3.36Å; H52-Y54 PolarHBondContact O-N 3.32Å; H52-N55 PolarHBondContact O-N 2.88Å; H52-S56 WeakPolarHBondContact O-CB 3.37Å; H52-S56 PolarHBondContact O-N 2.69Å
53	S	88.1	Confident	86.3	Confident	10 Å²	10	76.5 Å²	76.5	7%	0.07	39%	0.389	C	S	.	.	H	α-helix	trans	-58.9	-46.7	177.1	-67.2	0	0	0	0	111.5	Y49 I50 S56 G57 K253	Y49-S53 WeakPolarHBondContact CE2-OG 3.46Å; Y49-S53 WeakPolarHBondContact O-CB 3.23Å; Y49-S53 PolarHBondContact O-N 2.81Å; Y49-S53 PolarHBondContact O-OG 3.46Å; I50-S53 PolarHBondContact O-N 3.49Å; S53-S56 PolarHBondContact O-N 2.86Å; S53-S56 PolarHBondContact O-OG 2.85Å; S53-G57 PolarHBondContact O-N 2.84Å; S53-G57 VanDerWaalsContact O-N 3.09Å; S53-K253 VanDerWaalsContact O-CA 3.23Å; S53-K253 WeakPolarHBondContact O-CA 3.34Å; S53-K253 WeakPolarHBondContact O-CB 3.09Å
54	Y	86.2	Confident	85.5	Confident	72 Å²	72	76.4 Å²	76.4	28%	0.282	39%	0.386	S	S	.	.	H	α-helix	trans	-59.3	-50.1	176.2	177.4	-94.9	0	0	0	112.2	I50 V51 H52 S56 G57 V58 P252 A255	I50-Y54 VanDerWaalsContact O-CB 3.23Å; I50-Y54 WeakPolarHBondContact O-CB 3.34Å; I50-Y54 PolarHBondContact O-N 2.92Å; V51-Y54 PolarHBondContact O-N 2.87Å; H52-Y54 PolarHBondContact O-N 3.32Å; Y54-S56 VanDerWaalsContact C-N 3.29Å; Y54-S56 PolarHBondContact O-N 3.5Å; Y54-G57 WeakPolarHBondContact O-CA 3.48Å; Y54-G57 PolarHBondContact O-N 2.83Å; Y54-V58 HydrophobicContact CD1-CG2 4.11Å; Y54-V58 HydrophobicContact CE1-CG2 3.63Å; Y54-V58 HydrophobicContact CE2-CG2 4.42Å; Y54-V58 PolarHBondContact O-N 3.24Å; Y54-P252 VanDerWaalsContact CA-O 3.31Å; Y54-P252 WeakPolarHBondContact CA-O 3.23Å; Y54-A255 HydrophobicContact CD2-CB 4.07Å; Y54-A255 HydrophobicContact CE2-CB 4.18Å
55	N	88.1	Confident	84.5	Confident	88 Å²	88	72.9 Å²	72.9	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-38.5	178.5	-72.7	-18.5	0	0	0	112	V51 H52 G57 V58 E59	V51-N55 WeakPolarHBondContact O-CB 3.23Å; V51-N55 VanDerWaalsContact O-CG 3.25Å; V51-N55 PolarHBondContact O-N 3.49Å; V51-N55 PolarHBondContact O-ND2 3.33Å; H52-N55 PolarHBondContact O-N 2.88Å; N55-G57 VanDerWaalsContact C-N 3.26Å; N55-G57 PolarHBondContact O-N 3.31Å; N55-V58 PolarHBondContact O-N 2.95Å; N55-E59 WeakPolarHBondContact O-CB 3.23Å; N55-E59 PolarHBondContact O-N 3.09Å
56	S	88.5	Confident	83	Confident	35 Å²	35	78.2 Å²	78.2	25%	0.245	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-36	174.6	82.2	0	0	0	0	112.1	H52 S53 Y54 Y60	H52-S56 WeakPolarHBondContact O-CB 3.37Å; H52-S56 PolarHBondContact O-N 2.69Å; S53-S56 PolarHBondContact O-N 2.86Å; S53-S56 PolarHBondContact O-OG 2.85Å; Y54-S56 VanDerWaalsContact C-N 3.29Å; Y54-S56 PolarHBondContact O-N 3.5Å; S56-Y60 WeakPolarHBondContact O-CB 3.31Å; S56-Y60 PolarHBondContact O-N 3.46Å
57	G	84.9	Confident	81.6	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-70	-42.6	174.7	0	0	0	0	0	112.6	S53 Y54 N55 E59 Y60 A61 K253 G256	S53-G57 PolarHBondContact O-N 2.84Å; S53-G57 VanDerWaalsContact O-N 3.09Å; Y54-G57 WeakPolarHBondContact O-CA 3.48Å; Y54-G57 PolarHBondContact O-N 2.83Å; N55-G57 VanDerWaalsContact C-N 3.26Å; N55-G57 PolarHBondContact O-N 3.31Å; G57-E59 VanDerWaalsContact C-N 3.33Å; G57-Y60 WeakPolarHBondContact O-CB 3.43Å; G57-Y60 PolarHBondContact O-N 3.09Å; G57-A61 PolarHBondContact O-N 3.08Å; G57-K253 WeakPolarHBondContact CA-O 3.47Å; G57-G256 CarbonylContact C-O 3.56Å; G57-G256 CarbonylContact O-C 3.57Å
58	V	83.5	Confident	80.2	Confident	29 Å²	29	79.3 Å²	79.3	18%	0.176	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-42	174.5	174	0	0	0	0	110.7	Y54 N55 A61 K62 G256 R259	Y54-V58 HydrophobicContact CD1-CG2 4.11Å; Y54-V58 HydrophobicContact CE1-CG2 3.63Å; Y54-V58 HydrophobicContact CE2-CG2 4.42Å; Y54-V58 PolarHBondContact O-N 3.24Å; N55-V58 PolarHBondContact O-N 2.95Å; V58-A61 PolarHBondContact O-N 3.37Å; V58-K62 HydrophobicContact CG1-CD 4.36Å; V58-K62 WeakPolarHBondContact O-CG 3.46Å; V58-K62 PolarHBondContact O-N 3.03Å; V58-G256 WeakPolarHBondContact CA-O 3.43Å; V58-G256 PolarHBondContact N-O 3.48Å; V58-R259 HydrophobicContact CG2-CB 4.46Å
59	E	85.4	Confident	78.9	Confident	101 Å²	101	82.9 Å²	82.9	47%	0.472	40%	0.398	S	S	.	.	H	α-helix	trans	-65.6	-42.7	176.6	-167.6	-171.1	153.2	0	0	111.6	N55 G57 A61 K62 K63	N55-E59 WeakPolarHBondContact O-CB 3.23Å; N55-E59 PolarHBondContact O-N 3.09Å; G57-E59 VanDerWaalsContact C-N 3.33Å; E59-A61 VanDerWaalsContact C-N 3.29Å; E59-A61 PolarHBondContact O-N 3.33Å; E59-K62 PolarHBondContact O-N 3.22Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 PolarHBondContact O-N 3.32Å; E59-K63 VanDerWaalsContact OE1-CE 3.23Å; E59-K63 WeakPolarHBondContact OE1-CE 3.27Å; E59-K63 IonicContact OE1-NZ 2.69Å; E59-K63 PolarHBondContact OE1-NZ 3.42Å
60	Y	82.4	Confident	77.9	Confident	63 Å²	63	83.1 Å²	83.1	25%	0.247	41%	0.409	C	S	.	.	H	α-helix	trans	-56.3	-46.4	172.3	-176.8	-87.5	0	0	0	110.9	S56 G57 K63 H64 K173 I257	S56-Y60 WeakPolarHBondContact O-CB 3.31Å; S56-Y60 PolarHBondContact O-N 3.46Å; G57-Y60 WeakPolarHBondContact O-CB 3.43Å; G57-Y60 PolarHBondContact O-N 3.09Å; Y60-K63 PolarHBondContact O-N 3.05Å; Y60-H64 AromaticContact CD2-CE1 3.82Å; Y60-H64 AromaticContact CE1-ND1 3.97Å; Y60-H64 AromaticContact CE2-CE1 3.52Å; Y60-H64 AromaticContact CE2-ND1 3.92Å; Y60-H64 AromaticContact CZ-CE1 3.79Å; Y60-H64 AromaticContact CZ-ND1 3.9Å; Y60-H64 PolarHBondContact O-N 2.89Å; Y60-H64 PolarHBondContact O-ND1 2.65Å; Y60-K173 HydrophobicContact CE1-CB 4.14Å; Y60-K173 HydrophobicContact CE1-CG 4.14Å; Y60-K173 WeakPolarHBondContact OH-CD 3.34Å; Y60-I257 HydrophobicContact CD1-CD1 4.26Å; Y60-I257 HydrophobicContact CD1-CG1 4.05Å
61	A	80.9	Confident	77.3	Confident	1 Å²	1	83 Å²	83	1%	0.008	41%	0.407	C	S	.	.	H	α-helix	trans	-65.2	-43	177.3	0	0	0	0	0	111.8	G57 V58 E59 K63 H64 A65 Y261	G57-A61 PolarHBondContact O-N 3.08Å; V58-A61 PolarHBondContact O-N 3.37Å; E59-A61 VanDerWaalsContact C-N 3.29Å; E59-A61 PolarHBondContact O-N 3.33Å; A61-K63 PolarHBondContact O-N 3.25Å; A61-H64 PolarHBondContact O-N 2.81Å; A61-H64 VanDerWaalsContact O-N 3.08Å; A61-A65 WeakPolarHBondContact O-CA 3.29Å; A61-A65 WeakPolarHBondContact O-CB 3.14Å; A61-A65 PolarHBondContact O-N 2.92Å; A61-Y261 HydrophobicContact CB-CD2 4.05Å; A61-Y261 HydrophobicContact CB-CE2 3.99Å
62	K	78.6	Confident	77.2	Confident	164 Å²	164	87.5 Å²	87.5	71%	0.713	42%	0.423	S	S	*	.	H	α-helix	trans	-57.3	-36.1	175.7	-76.3	175.8	178.7	-179.3	0	113.2	V58 E59 H64	V58-K62 HydrophobicContact CG1-CD 4.36Å; V58-K62 WeakPolarHBondContact O-CG 3.46Å; V58-K62 PolarHBondContact O-N 3.03Å; E59-K62 PolarHBondContact O-N 3.22Å; K62-H64 VanDerWaalsContact C-N 3.33Å
63	K	78.6	Confident	77	Confident	144 Å²	144	82 Å²	82	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-72	-25.1	178.7	-72.5	176.1	-175.9	169.5	0	113.4	E59 Y60 A61	E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 PolarHBondContact O-N 3.32Å; E59-K63 VanDerWaalsContact OE1-CE 3.23Å; E59-K63 WeakPolarHBondContact OE1-CE 3.27Å; E59-K63 IonicContact OE1-NZ 2.69Å; E59-K63 PolarHBondContact OE1-NZ 3.42Å; Y60-K63 PolarHBondContact O-N 3.05Å; A61-K63 PolarHBondContact O-N 3.25Å
64	H	72.4	Confident	77.2	Confident	96 Å²	96	86.4 Å²	86.4	44%	0.444	42%	0.42	S	S	.	.	H	α-helix	trans	-125.4	-15.6	-168.3	-61.6	92.8	0	0	0	114.6	Y60 A61 K62 Y261	Y60-H64 AromaticContact CD2-CE1 3.82Å; Y60-H64 AromaticContact CE1-ND1 3.97Å; Y60-H64 AromaticContact CE2-CE1 3.52Å; Y60-H64 AromaticContact CE2-ND1 3.92Å; Y60-H64 AromaticContact CZ-CE1 3.79Å; Y60-H64 AromaticContact CZ-ND1 3.9Å; Y60-H64 PolarHBondContact O-N 2.89Å; Y60-H64 PolarHBondContact O-ND1 2.65Å; A61-H64 PolarHBondContact O-N 2.81Å; A61-H64 VanDerWaalsContact O-N 3.08Å; K62-H64 VanDerWaalsContact C-N 3.33Å; H64-Y261 WeakPolarHBondContact CB-OH 3.33Å; H64-Y261 PolarHBondContact O-OH 3.34Å
65	A	65.9	Low	77.4	Confident	27 Å²	27	84 Å²	84	22%	0.223	42%	0.417	C	S	.	.			trans	-85.7	139.4	-180	0	0	0	0	0	110.3	A61 G260 Y261	A61-A65 WeakPolarHBondContact O-CA 3.29Å; A61-A65 WeakPolarHBondContact O-CB 3.14Å; A61-A65 PolarHBondContact O-N 2.92Å; A65-G260 WeakPolarHBondContact CB-O 3.45Å; A65-Y261 HydrophobicContact CB-CD1 4.12Å; A65-Y261 HydrophobicContact CB-CE1 3.91Å; A65-Y261 HydrophobicContact CB-CE2 4.49Å
66	K	57.9	Low	77.5	Confident	166 Å²	166	81.6 Å²	81.6	72%	0.722	41%	0.406	S	S	*	.			trans	-97.1	128.4	171.9	-65.1	-180	179	178.9	0	108.7	V68 K92	K66-V68 PolarHBondContact O-N 2.8Å; K66-K92 PolarHBondContact O-NZ 3.11Å
67	D	57.9	Low	77.2	Confident	145 Å²	145	85.3 Å²	85.3	78%	0.775	43%	0.427	S	S	*	.			trans	-8.2	109.4	179.7	-70.5	-38.9	0	0	0	115	K69 K92	D67-K69 PolarHBondContact O-N 2.7Å; D67-K92 PolarHBondContact O-NZ 2.76Å
68	V	59	Low	77.2	Confident	56 Å²	56	89.4 Å²	89.4	34%	0.339	45%	0.445	S	S	.	.			trans	-94.4	93	175.9	-176.9	0	0	0	0	107.9	K66 V70 G260 N263	K66-V68 PolarHBondContact O-N 2.8Å; V68-V70 PolarHBondContact O-N 3.11Å; V68-G260 WeakPolarHBondContact CG2-O 3.47Å; V68-N263 VanDerWaalsContact CG1-CA 3.48Å; V68-N263 HydrophobicContact CG1-CB 3.38Å
69	K	63.1	Low	77.1	Confident	168 Å²	168	95 Å²	95	73%	0.73	47%	0.474	S	S	*	.			trans	-77.4	109.2	175.3	-71.4	-170.8	177.7	-176.4	0	110.1	D67 H71 N263	D67-K69 PolarHBondContact O-N 2.7Å; K69-H71 PolarHBondContact O-N 3.18Å; K69-N263 PolarHBondContact O-ND2 2.96Å
70	V	67.9	Low	77.1	Confident	101 Å²	101	93.5 Å²	93.5	61%	0.612	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-56.2	127.8	172.5	-177.3	0	0	0	0	109.5	V68 N263	V68-V70 PolarHBondContact O-N 3.11Å; V70-N263 WeakPolarHBondContact CA-OD1 3.22Å
71	H	76.2	Confident	77.4	Confident	70 Å²	70	92 Å²	92	32%	0.324	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-84.6	145.9	176.6	-64.8	-86	0	0	0	109.2	K69 F73 P145 Y163 N263	K69-H71 PolarHBondContact O-N 3.18Å; H71-F73 PolarHBondContact O-N 3.05Å; H71-P145 HydrophobicContact CB-CG 3.95Å; H71-P145 VanDerWaalsContact CG-CD 3.5Å; H71-Y163 PolarHBondContact N-OH 2.78Å; H71-Y163 PolarHBondContact O-OH 3.37Å; H71-N263 PolarHBondContact CD2-ND2 3.31Å
72	Q	83.5	Confident	78	Confident	168 Å²	168	93.8 Å²	93.8	79%	0.785	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-61.6	135.2	163.7	-71.2	-164.2	-10.1	0	0	109.2	E146	Q72-E146 WeakPolarHBondContact O-CB 3.42Å
73	F	89.3	Confident	78.6	Confident	19 Å²	19	86.4 Å²	86.4	8%	0.083	45%	0.449	C	S	.	.			trans	-149.3	117.4	-179.3	-168.3	-94.2	0	0	0	109	H71 L86 P145 E146 R149 P160 E161 Y163	H71-F73 PolarHBondContact O-N 3.05Å; F73-L86 HydrophobicContact CE2-CD2 4.29Å; F73-P145 HydrophobicContact CD2-CB 3.7Å; F73-P145 HydrophobicContact CE2-CB 3.94Å; F73-P145 WeakPolarHBondContact CE2-O 3.38Å; F73-E146 HydrophobicContact CD2-CB 4.41Å; F73-R149 HydrophobicContact CE1-CG 4.47Å; F73-R149 HydrophobicContact CE2-CB 3.68Å; F73-R149 HydrophobicContact CE2-CG 4.15Å; F73-R149 HydrophobicContact CZ-CB 3.86Å; F73-R149 VanDerWaalsContact CZ-CD 3.46Å; F73-R149 HydrophobicContact CZ-CG 3.79Å; F73-P160 HydrophobicContact CZ-CG 4.43Å; F73-E161 WeakPolarHBondContact CE1-O 3.45Å; F73-Y163 HydrophobicContact CB-CD1 3.52Å; F73-Y163 HydrophobicContact CB-CE1 3.56Å; F73-Y163 AromaticContact CD1-CD1 3.94Å; F73-Y163 HydrophobicContact CD1-CD1 3.94Å; F73-Y163 AromaticContact CD2-CD1 3.48Å; F73-Y163 HydrophobicContact CD2-CD1 3.48Å; F73-Y163 VanDerWaalsContact CD2-CD1 3.48Å; F73-Y163 HydrophobicContact CD2-CE1 4.23Å; F73-Y163 HydrophobicContact CD2-CG 4.08Å; F73-Y163 HydrophobicContact CE1-CD1 4.46Å; F73-Y163 HydrophobicContact CE2-CD1 4.04Å; F73-Y163 HydrophobicContact CE2-CG 4.23Å; F73-Y163 AromaticContact CG-CD1 3.38Å; F73-Y163 HydrophobicContact CG-CD1 3.38Å; F73-Y163 AromaticContact CG-CE1 3.99Å; F73-Y163 HydrophobicContact CG-CE1 3.99Å; F73-Y163 HydrophobicContact CG-CG 4.35Å; F73-Y163 HydrophobicContact CZ-CD1 4.48Å
74	N	92.1	Very high	79.4	Confident	102 Å²	102	80 Å²	80	55%	0.545	42%	0.421	S	S	.	.			trans	-108.9	59.4	-173.1	-57.8	-49.9	0	0	0	109.4	E146 R149	N74-E146 PolarHBondContact N-OE2 3.12Å; N74-R149 PolarHBondContact O-NE 2.83Å; N74-R149 PolarHBondContact O-NH2 2.83Å; N74-R149 VanDerWaalsContact O-NH2 3.15Å
75	G	89.5	Confident	80.5	Confident	20 Å²	20	76.6 Å²	76.6	21%	0.206	41%	0.406	C	S	.	.			trans	-62.7	147.2	173.8	0	0	0	0	0	111.4
76	P	89.5	Confident	81.9	Confident	38 Å²	38	75.3 Å²	75.3	25%	0.247	40%	0.396	C	S	.	.			trans	-67.2	146.1	176.6	30.4	-36.5	0	0	0	110.4	K78 N159 E161	P76-K78 HydrophobicContact CB-CG 4.34Å; P76-K78 HydrophobicContact CG-CG 4.3Å; P76-N159 WeakPolarHBondContact CD-OD1 3.34Å; P76-N159 HydrophobicContact CG-CB 4.42Å; P76-E161 VanDerWaalsContact O-CG 3.24Å; P76-E161 WeakPolarHBondContact O-CG 2.91Å
77	V	83.4	Confident	83.6	Confident	114 Å²	114	69.3 Å²	69.3	69%	0.691	37%	0.373	S	S	*	.			trans	-94.4	104.8	167.5	-179.5	0	0	0	0	107.2	N79	V77-N79 WeakPolarHBondContact CG1-OD1 3.21Å
78	K	83.4	Confident	85.2	Confident	85 Å²	85	62.5 Å²	62.5	37%	0.37	34%	0.337	S	S	.	.			trans	-89.8	-28.9	-173.3	-61.7	-179.8	-172.2	171.7	0	113.7	P76 D80 N159 E161	P76-K78 HydrophobicContact CB-CG 4.34Å; P76-K78 HydrophobicContact CG-CG 4.3Å; K78-D80 HydrophobicContact CB-CB 4.41Å; K78-D80 PolarHBondContact O-N 3.14Å; K78-D80 VanDerWaalsContact O-N 3.11Å; K78-N159 WeakPolarHBondContact CE-O 3.44Å; K78-N159 PolarHBondContact NZ-O 2.67Å; K78-E161 WeakPolarHBondContact CB-OE1 3.4Å
79	N	81.5	Confident	86.6	Confident	147 Å²	147	60.4 Å²	60.4	79%	0.786	33%	0.326	S	S	*	.			trans	50.2	31.4	-177.5	-65.7	-27.8	0	0	0	113.8	V77 G81	V77-N79 WeakPolarHBondContact CG1-OD1 3.21Å; N79-G81 VanDerWaalsContact C-N 3.35Å
80	D	87.1	Confident	87.4	Confident	70 Å²	70	52.6 Å²	52.6	37%	0.374	29%	0.293	S	S	.	.	S	Bend	trans	-95	11.5	-176.8	63.4	-2.7	0	0	0	112.9	K78 K82	K78-D80 HydrophobicContact CB-CB 4.41Å; K78-D80 PolarHBondContact O-N 3.14Å; K78-D80 VanDerWaalsContact O-N 3.11Å; D80-K82 PolarHBondContact O-N 2.91Å; D80-K82 WeakPolarHBondContact OD1-CB 3.39Å; D80-K82 PolarHBondContact OD1-N 3.33Å
81	G	88.7	Confident	87.7	Confident	31 Å²	31	50.5 Å²	50.5	32%	0.32	28%	0.278	S	S	.	.	S	Bend	trans	73.4	11.6	-175.1	0	0	0	0	0	113.7	N79 F110	N79-G81 VanDerWaalsContact C-N 3.35Å; G81-F110 VanDerWaalsContact O-CB 3.29Å; G81-F110 WeakPolarHBondContact O-CB 3.39Å; G81-F110 WeakPolarHBondContact O-CD2 3.49Å; G81-F110 PolarHBondContact O-N 3.34Å
82	K	91.7	Very high	87.1	Confident	38 Å²	38	52 Å²	52	17%	0.165	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	158.4	173.6	-54.2	178.7	-177.9	-178.5	0	109.4	D80 Q107 Y108 D109	D80-K82 PolarHBondContact O-N 2.91Å; D80-K82 WeakPolarHBondContact OD1-CB 3.39Å; D80-K82 PolarHBondContact OD1-N 3.33Å; K82-Q107 HydrophobicContact CB-CG 4.38Å; K82-Y108 CarbonylContact C-O 3.52Å; K82-Y108 WeakPolarHBondContact CA-O 3.21Å; K82-D109 VanDerWaalsContact CE-OD2 3.26Å; K82-D109 WeakPolarHBondContact CE-OD2 3.39Å; K82-D109 HydrophobicContact CG-CB 4.25Å; K82-D109 IonicContact NZ-OD2 2.76Å
83	I	92.4	Very high	85.1	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.1	166.8	-177.1	170.8	0	0	0	108.2	I85 Q107 Y108 F110 Y162 T274	I83-I85 HydrophobicContact CD1-CD1 4.32Å; I83-I85 HydrophobicContact CD1-CG1 4.32Å; I83-I85 HydrophobicContact CG1-CD1 4.49Å; I83-I85 HydrophobicContact CG1-CG1 4.11Å; I83-Q107 CarbonylContact O-C 3.52Å; I83-Q107 VanDerWaalsContact O-CA 3.24Å; I83-Q107 WeakPolarHBondContact O-CA 3.38Å; I83-Y108 PolarHBondContact N-O 3.34Å; I83-Y108 PolarHBondContact O-N 3.38Å; I83-F110 HydrophobicContact CB-CE2 3.85Å; I83-F110 HydrophobicContact CG2-CD2 4.44Å; I83-F110 HydrophobicContact CG2-CE2 3.46Å; I83-F110 VanDerWaalsContact CG2-CE2 3.46Å; I83-F110 HydrophobicContact CG2-CZ 3.87Å; I83-Y162 HydrophobicContact CD1-CD2 3.55Å; I83-Y162 HydrophobicContact CD1-CE2 3.53Å; I83-Y162 HydrophobicContact CG1-CD2 3.59Å; I83-Y162 HydrophobicContact CG1-CE2 3.69Å; I83-T274 HydrophobicContact CG2-CG2 4.45Å
84	S	94.7	Very high	82.5	Confident	8 Å²	8	55.1 Å²	55.1	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.9	176.2	55	0	0	0	0	111.4	V106 P160 E161 Y162	S84-V106 CarbonylContact C-O 3.51Å; S84-V106 WeakPolarHBondContact CA-O 3.17Å; S84-P160 WeakPolarHBondContact OG-CA 3.4Å; S84-E161 PolarHBondContact O-N 2.78Å; S84-E161 PolarHBondContact OG-N 2.91Å; S84-Y162 PolarHBondContact O-N 2.98Å; S84-Y162 VanDerWaalsContact O-N 3.11Å
85	I	95.1	Very high	79.9	Confident	25 Å²	25	54.3 Å²	54.3	13%	0.128	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.8	-170.1	-53.3	168.4	0	0	0	109.1	I83 V87 V105 V106 Y162 A164 I266	I83-I85 HydrophobicContact CD1-CD1 4.32Å; I83-I85 HydrophobicContact CD1-CG1 4.32Å; I83-I85 HydrophobicContact CG1-CD1 4.49Å; I83-I85 HydrophobicContact CG1-CG1 4.11Å; I85-V87 HydrophobicContact CG2-CG2 3.98Å; I85-V87 PolarHBondContact O-N 3.01Å; I85-V105 CarbonylContact O-C 3.49Å; I85-V105 WeakPolarHBondContact O-CA 3.01Å; I85-V106 PolarHBondContact N-O 3.15Å; I85-V106 PolarHBondContact O-N 3.07Å; I85-Y162 CarbonylContact C-O 3.56Å; I85-Y162 WeakPolarHBondContact CA-O 3.42Å; I85-A164 HydrophobicContact CG2-CB 4.26Å; I85-I266 HydrophobicContact CD1-CD1 3.8Å; I85-I266 HydrophobicContact CG1-CD1 4.16Å; I85-I266 HydrophobicContact CG2-CD1 3.88Å
86	L	96.1	Very high	78	Confident	0 Å²	0	57 Å²	57	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	102.3	168.2	-178.5	58.8	0	0	0	109.9	F73 L88 I103 M104 V105 L148 L152 P160 Y162 Y163 A164	F73-L86 HydrophobicContact CE2-CD2 4.29Å; L86-L88 HydrophobicContact CD1-CD2 3.77Å; L86-L88 HydrophobicContact CD1-CG 4.41Å; L86-L88 HydrophobicContact CD2-CD1 4.11Å; L86-L88 HydrophobicContact CD2-CD2 4.27Å; L86-L88 HydrophobicContact CD2-CG 4.37Å; L86-L88 HydrophobicContact CG-CD1 4.19Å; L86-L88 HydrophobicContact CG-CD2 3.8Å; L86-L88 HydrophobicContact CG-CG 3.91Å; L86-I103 HydrophobicContact CD1-CG2 3.96Å; L86-M104 CarbonylContact C-O 3.32Å; L86-V105 HydrophobicContact CD1-CG2 4.05Å; L86-L148 HydrophobicContact CD2-CD2 4.12Å; L86-L148 HydrophobicContact CD2-CG 4.15Å; L86-L152 HydrophobicContact CD1-CD1 3.56Å; L86-L152 HydrophobicContact CD2-CD1 4.17Å; L86-L152 HydrophobicContact CG-CD1 4.5Å; L86-P160 HydrophobicContact CB-CB 4.12Å; L86-P160 HydrophobicContact CB-CG 3.75Å; L86-Y162 PolarHBondContact N-O 3.14Å; L86-Y163 CarbonylContact O-C 3.57Å; L86-Y163 WeakPolarHBondContact O-CA 3.49Å; L86-A164 PolarHBondContact O-N 3.31Å
87	V	93.5	Very high	76.4	Confident	41 Å²	41	61.1 Å²	61.1	25%	0.248	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	177	-175.3	0	0	0	0	109.3	I85 M104 V106 A164 V166	I85-V87 HydrophobicContact CG2-CG2 3.98Å; I85-V87 PolarHBondContact O-N 3.01Å; V87-M104 HydrophobicContact CB-CB 4.31Å; V87-M104 PolarHBondContact N-O 3.32Å; V87-M104 PolarHBondContact O-N 2.85Å; V87-V106 HydrophobicContact CG2-CB 4.43Å; V87-V106 HydrophobicContact CG2-CG2 3.79Å; V87-A164 CarbonylContact C-O 3.55Å; V87-A164 WeakPolarHBondContact CA-O 3.47Å; V87-V166 HydrophobicContact CG1-CG2 4.44Å
88	L	91.6	Very high	75.5	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.8	-175.5	-58.7	177.4	0	0	0	109.9	L86 T100 S102 I103 Y140 P145 L148 A164 V165 V166	L86-L88 HydrophobicContact CD1-CD2 3.77Å; L86-L88 HydrophobicContact CD1-CG 4.41Å; L86-L88 HydrophobicContact CD2-CD1 4.11Å; L86-L88 HydrophobicContact CD2-CD2 4.27Å; L86-L88 HydrophobicContact CD2-CG 4.37Å; L86-L88 HydrophobicContact CG-CD1 4.19Å; L86-L88 HydrophobicContact CG-CD2 3.8Å; L86-L88 HydrophobicContact CG-CG 3.91Å; L88-T100 HydrophobicContact CB-CG2 4.06Å; L88-T100 HydrophobicContact CD1-CG2 4.33Å; L88-T100 HydrophobicContact CD2-CG2 4.38Å; L88-T100 HydrophobicContact CG-CG2 4.49Å; L88-S102 WeakPolarHBondContact CA-O 3.48Å; L88-I103 HydrophobicContact CD2-CB 4.31Å; L88-I103 HydrophobicContact CD2-CG1 4.14Å; L88-I103 HydrophobicContact CD2-CG2 4.1Å; L88-Y140 HydrophobicContact CD1-CD2 3.64Å; L88-Y140 HydrophobicContact CD1-CE2 3.72Å; L88-P145 HydrophobicContact CD1-CB 4.47Å; L88-L148 HydrophobicContact CD1-CD2 3.97Å; L88-L148 HydrophobicContact CD2-CD2 3.5Å; L88-L148 VanDerWaalsContact CD2-CD2 3.5Å; L88-L148 HydrophobicContact CG-CD2 4.41Å; L88-A164 PolarHBondContact N-O 3.37Å; L88-V165 HydrophobicContact CB-CB 4.47Å; L88-V165 HydrophobicContact CB-CG1 4.27Å; L88-V165 HydrophobicContact CB-CG2 4.26Å; L88-V165 HydrophobicContact CD1-CG2 4.13Å; L88-V165 CarbonylContact O-C 3.47Å; L88-V165 WeakPolarHBondContact O-CA 3.3Å; L88-V166 PolarHBondContact O-N 3.12Å
89	G	88.5	Confident	74.8	Confident	12 Å²	12	60.8 Å²	60.8	12%	0.124	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.3	167.5	0	0	0	0	0	109.3	T100 D101 S102	G89-T100 WeakPolarHBondContact O-CA 3.47Å; G89-D101 PolarHBondContact O-N 3.3Å; G89-S102 PolarHBondContact N-O 3.47Å; G89-S102 PolarHBondContact O-N 3.18Å
90	A	79.5	Confident	74.4	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.033	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.8	-175.8	0	0	0	0	0	112	T100 Y140 V165 V166	A90-T100 HydrophobicContact CB-CG2 4.33Å; A90-Y140 HydrophobicContact CB-CE1 4.48Å; A90-V165 HydrophobicContact CB-CG1 3.54Å; A90-V166 PolarHBondContact N-O 3.03Å; A90-V166 VanDerWaalsContact N-O 3.14Å
91	D	74.8	Confident	73.8	Confident	57 Å²	57	51.9 Å²	51.9	31%	0.305	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.4	166.7	-149.8	-26.6	0	0	0	108.2	A93 S98 R99 F168 R216	D91-A93 VanDerWaalsContact C-N 3.25Å; D91-A93 PolarHBondContact O-N 3.39Å; D91-S98 WeakPolarHBondContact O-CA 3.35Å; D91-S98 PolarHBondContact O-OG 3.13Å; D91-R99 PolarHBondContact N-O 3.35Å; D91-F168 HydrophobicContact CB-CD2 3.75Å; D91-F168 HydrophobicContact CB-CE2 3.45Å; D91-F168 VanDerWaalsContact CB-CE2 3.45Å; D91-F168 HydrophobicContact CB-CZ 4.35Å; D91-F168 WeakPolarHBondContact OD2-CE2 3.45Å; D91-R216 IonicContact OD2-CZ 3.98Å; D91-R216 IonicContact OD2-NH1 2.88Å; D91-R216 IonicContact OD2-NH2 3.62Å; D91-R216 PolarHBondContact OD2-NH2 3.16Å
92	K	62.7	Low	73.7	Confident	103 Å²	103	51.5 Å²	51.5	45%	0.448	30%	0.299	S	S	.	.			trans	-78	83.6	165.5	-74.8	-173.5	178.7	-176.8	0	107.5	K66 D67 Q94	K66-K92 PolarHBondContact O-NZ 3.11Å; D67-K92 PolarHBondContact O-NZ 2.76Å; K92-Q94 PolarHBondContact O-N 2.67Å
93	A	42.9	Very low	73.9	Confident	48 Å²	48	49.8 Å²	49.8	40%	0.397	29%	0.292	S	S	.	.			trans	-57.5	132.2	170.6	0	0	0	0	0	109.7	D91 G95 G96	D91-A93 VanDerWaalsContact C-N 3.25Å; D91-A93 PolarHBondContact O-N 3.39Å; A93-G95 PolarHBondContact O-N 3.02Å; A93-G95 VanDerWaalsContact O-N 3.12Å; A93-G96 PolarHBondContact O-N 3.34Å
94	Q	33.6	Very low	73.9	Confident	203 Å²	203	49.9 Å²	49.9	95%	0.949	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	117.6	169.3	-63.8	-160	23.8	0	0	108	K92	K92-Q94 PolarHBondContact O-N 2.67Å
95	G	37.2	Very low	74	Confident	86 Å²	86	49.7 Å²	49.7	89%	0.887	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.8	-0.8	-174.5	0	0	0	0	0	115.7	A93 Q97	A93-G95 PolarHBondContact O-N 3.02Å; A93-G95 VanDerWaalsContact O-N 3.12Å; G95-Q97 PolarHBondContact O-N 3.28Å
96	G	50.4	Low	74	Confident	75 Å²	75	49.5 Å²	49.5	77%	0.773	29%	0.29	S	S	*	.	S	Bend	trans	94.8	-21.7	161.7	0	0	0	0	0	116.7	A93 S98	A93-G96 PolarHBondContact O-N 3.34Å; G96-S98 PolarHBondContact O-N 3.19Å
97	Q	55.6	Low	73.9	Confident	126 Å²	126	50.2 Å²	50.2	59%	0.589	29%	0.294	S	S	*	.			trans	-87.2	96.1	170.7	-85.3	-171.2	-9.4	0	0	110.9	G95	G95-Q97 PolarHBondContact O-N 3.28Å
98	S	64.6	Low	73.8	Confident	25 Å²	25	48.4 Å²	48.4	18%	0.175	28%	0.283	C	S	.	.			trans	-70.5	130.7	171.2	-173.7	0	0	0	0	110.2	D91 G96	D91-S98 WeakPolarHBondContact O-CA 3.35Å; D91-S98 PolarHBondContact O-OG 3.13Å; G96-S98 PolarHBondContact O-N 3.19Å
99	R	69.2	Low	73.8	Confident	166 Å²	166	48.6 Å²	48.6	63%	0.626	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.8	176.2	-67.5	-179.4	176	-176.9	-2.2	109	D91	D91-R99 PolarHBondContact N-O 3.35Å
100	T	72.6	Confident	73.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.2	168.4	47.1	0	0	0	0	110	L88 G89 A90 Y140	L88-T100 HydrophobicContact CB-CG2 4.06Å; L88-T100 HydrophobicContact CD1-CG2 4.33Å; L88-T100 HydrophobicContact CD2-CG2 4.38Å; L88-T100 HydrophobicContact CG-CG2 4.49Å; G89-T100 WeakPolarHBondContact O-CA 3.47Å; A90-T100 HydrophobicContact CB-CG2 4.33Å; T100-Y140 HydrophobicContact CG2-CD1 3.39Å; T100-Y140 HydrophobicContact CG2-CD2 3.67Å; T100-Y140 HydrophobicContact CG2-CE1 3.74Å; T100-Y140 HydrophobicContact CG2-CE2 4Å; T100-Y140 HydrophobicContact CG2-CG 3.33Å
101	D	75.2	Confident	74.2	Confident	30 Å²	30	56.3 Å²	56.3	16%	0.16	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-23.5	176.9	-80.2	-22.1	0	0	0	112.3	G89 R122 F168 R216	G89-D101 PolarHBondContact O-N 3.3Å; D101-R122 IonicContact OD1-NH1 3.11Å; D101-R122 PolarHBondContact OD1-NH1 3.4Å; D101-F168 HydrophobicContact CB-CZ 3.99Å; D101-R216 IonicContact OD2-CZ 2.72Å; D101-R216 IonicContact OD2-NE 3.8Å; D101-R216 IonicContact OD2-NH2 3.62Å; D101-R216 PolarHBondContact OD2-NH2 2.85Å; D101-R216 VanDerWaalsContact OD2-NH2 3.13Å
102	S	86.8	Confident	74.9	Confident	23 Å²	23	56 Å²	56	16%	0.161	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.8	176.7	-175.4	0	0	0	0	110.4	L88 G89 Q231	L88-S102 WeakPolarHBondContact CA-O 3.48Å; G89-S102 PolarHBondContact N-O 3.47Å; G89-S102 PolarHBondContact O-N 3.18Å; S102-Q231 PolarHBondContact OG-OE1 3.17Å
103	I	94	Very high	76.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.9	174	-56.5	170.7	0	0	0	106.1	L86 L88 V120 I136 N137 L148 L152	L86-I103 HydrophobicContact CD1-CG2 3.96Å; L88-I103 HydrophobicContact CD2-CB 4.31Å; L88-I103 HydrophobicContact CD2-CG1 4.14Å; L88-I103 HydrophobicContact CD2-CG2 4.1Å; I103-V120 HydrophobicContact CB-CB 4.15Å; I103-V120 HydrophobicContact CG2-CB 3.91Å; I103-V120 HydrophobicContact CG2-CG2 4.4Å; I103-V120 PolarHBondContact O-N 2.89Å; I103-I136 HydrophobicContact CD1-CG2 4.03Å; I103-N137 HydrophobicContact CD1-CB 4.27Å; I103-L148 HydrophobicContact CD1-CD1 4.22Å; I103-L148 HydrophobicContact CD1-CD2 4.26Å; I103-L148 HydrophobicContact CG1-CD2 4.28Å; I103-L148 HydrophobicContact CG2-CD2 4.32Å; I103-L152 HydrophobicContact CG2-CD1 4.44Å; I103-L152 HydrophobicContact CG2-CD2 4.49Å
104	M	94.3	Very high	78.3	Confident	13 Å²	13	53.4 Å²	53.4	6%	0.064	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.2	178.7	-173.2	-179	-62.4	0	0	109.7	L86 V87 V106 M117 M118	L86-M104 CarbonylContact C-O 3.32Å; V87-M104 HydrophobicContact CB-CB 4.31Å; V87-M104 PolarHBondContact N-O 3.32Å; V87-M104 PolarHBondContact O-N 2.85Å; M104-V106 HydrophobicContact CG-CG2 4.19Å; M104-V106 HydrophobicContact SD-CG2 4.05Å; M104-M117 HydrophobicContact SD-CB 4.28Å; M104-M117 HydrophobicContact SD-SD 4.06Å; M104-M118 CarbonylContact C-O 3.45Å; M104-M118 VanDerWaalsContact CA-O 3.23Å; M104-M118 WeakPolarHBondContact CA-O 3.44Å; M104-M118 WeakPolarHBondContact CG-O 3.43Å
105	V	95.9	Very high	80.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.3	171.7	-179.4	0	0	0	0	107.5	I85 L86 M117 M118 I158	I85-V105 CarbonylContact O-C 3.49Å; I85-V105 WeakPolarHBondContact O-CA 3.01Å; L86-V105 HydrophobicContact CD1-CG2 4.05Å; V105-M117 CarbonylContact O-C 3.58Å; V105-M117 WeakPolarHBondContact O-CA 3.37Å; V105-M118 HydrophobicContact CB-CB 4.43Å; V105-M118 HydrophobicContact CB-CE 3.83Å; V105-M118 HydrophobicContact CG1-CE 3.83Å; V105-M118 PolarHBondContact N-O 3.11Å; V105-M118 PolarHBondContact O-N 3.39Å; V105-I158 HydrophobicContact CB-CG2 4.28Å; V105-I158 HydrophobicContact CG1-CG2 3.93Å; V105-I158 HydrophobicContact CG2-CG2 3.75Å
106	V	94.2	Very high	83.6	Confident	21 Å²	21	41.5 Å²	41.5	13%	0.127	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124	177.2	-177.7	0	0	0	0	107.8	S84 I85 V87 M104 M115 K116 M117	S84-V106 CarbonylContact C-O 3.51Å; S84-V106 WeakPolarHBondContact CA-O 3.17Å; I85-V106 PolarHBondContact N-O 3.15Å; I85-V106 PolarHBondContact O-N 3.07Å; V87-V106 HydrophobicContact CG2-CB 4.43Å; V87-V106 HydrophobicContact CG2-CG2 3.79Å; M104-V106 HydrophobicContact CG-CG2 4.19Å; M104-V106 HydrophobicContact SD-CG2 4.05Å; V106-M115 HydrophobicContact CG1-CG 4.05Å; V106-M115 HydrophobicContact CG1-SD 4.2Å; V106-K116 WeakPolarHBondContact CA-O 3.19Å; V106-M117 HydrophobicContact CG1-CG 4.3Å; V106-M117 HydrophobicContact CG2-CG 4.1Å; V106-M117 HydrophobicContact CG2-SD 4.47Å
107	Q	93.9	Very high	85.6	Confident	15 Å²	15	38.4 Å²	38.4	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.8	170.9	-173.9	-174	72.4	0	0	109.1	K82 I83 M115 K116 L324	K82-Q107 HydrophobicContact CB-CG 4.38Å; I83-Q107 CarbonylContact O-C 3.52Å; I83-Q107 VanDerWaalsContact O-CA 3.24Å; I83-Q107 WeakPolarHBondContact O-CA 3.38Å; Q107-M115 WeakPolarHBondContact O-CA 3.33Å; Q107-K116 HydrophobicContact CB-CB 4.49Å; Q107-K116 PolarHBondContact N-O 3.25Å; Q107-K116 PolarHBondContact O-N 3.05Å; Q107-L324 HydrophobicContact CB-CD2 4.28Å; Q107-L324 PolarHBondContact OE1-O 3.4Å
108	Y	92.2	Very high	87.5	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.9	167.3	-177	-111.1	0	0	0	109.4	K82 I83 F110 K114 M115 T274 S277 F278	K82-Y108 CarbonylContact C-O 3.52Å; K82-Y108 WeakPolarHBondContact CA-O 3.21Å; I83-Y108 PolarHBondContact N-O 3.34Å; I83-Y108 PolarHBondContact O-N 3.38Å; Y108-F110 AromaticContact CD1-CD1 3.86Å; Y108-F110 HydrophobicContact CD1-CD1 3.86Å; Y108-F110 HydrophobicContact CD1-CD2 4.19Å; Y108-F110 AromaticContact CD1-CE1 3.74Å; Y108-F110 HydrophobicContact CD1-CE1 3.74Å; Y108-F110 HydrophobicContact CD1-CE2 4.1Å; Y108-F110 HydrophobicContact CD1-CG 4.08Å; Y108-F110 AromaticContact CD1-CZ 3.87Å; Y108-F110 HydrophobicContact CD1-CZ 3.87Å; Y108-F110 AromaticContact CE1-CD1 3.52Å; Y108-F110 HydrophobicContact CE1-CD1 3.52Å; Y108-F110 AromaticContact CE1-CE1 3.68Å; Y108-F110 HydrophobicContact CE1-CE1 3.68Å; Y108-F110 HydrophobicContact CE1-CG 4.01Å; Y108-F110 HydrophobicContact CE1-CZ 4.29Å; Y108-K114 VanDerWaalsContact CD2-O 3.31Å; Y108-K114 WeakPolarHBondContact CD2-O 3.45Å; Y108-M115 HydrophobicContact CD2-CB 4.17Å; Y108-M115 HydrophobicContact CD2-CE 4.42Å; Y108-T274 HydrophobicContact CD1-CG2 3.83Å; Y108-T274 HydrophobicContact CG-CG2 4.13Å; Y108-S277 VanDerWaalsContact OH-C 3.27Å; Y108-S277 WeakPolarHBondContact OH-CB 3.24Å; Y108-S277 PolarHBondContact OH-O 3.11Å; Y108-S277 PolarHBondContact OH-OG 2.93Å; Y108-F278 HydrophobicContact CD2-CD2 4.26Å; Y108-F278 HydrophobicContact CE2-CB 4.02Å; Y108-F278 AromaticContact CE2-CD2 3.83Å; Y108-F278 HydrophobicContact CE2-CD2 3.83Å; Y108-F278 HydrophobicContact CE2-CG 4.42Å; Y108-F278 PolarHBondContact OH-N 3.46Å
109	D	91.7	Very high	88.9	Confident	5 Å²	5	31.3 Å²	31.3	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.4	176.6	-173.3	-32.1	0	0	0	108.9	K82 I111 N112 K113 K114	K82-D109 VanDerWaalsContact CE-OD2 3.26Å; K82-D109 WeakPolarHBondContact CE-OD2 3.39Å; K82-D109 HydrophobicContact CG-CB 4.25Å; K82-D109 IonicContact NZ-OD2 2.76Å; D109-I111 VanDerWaalsContact C-N 3.3Å; D109-I111 WeakPolarHBondContact OD1-CA 3.31Å; D109-I111 WeakPolarHBondContact OD1-CB 3.47Å; D109-I111 PolarHBondContact OD1-N 3.3Å; D109-N112 HydrophobicContact CB-CB 4.34Å; D109-N112 PolarHBondContact OD1-N 2.8Å; D109-N112 PolarHBondContact OD2-ND2 3.45Å; D109-K113 WeakPolarHBondContact O-CA 3.4Å; D109-K113 PolarHBondContact O-N 2.83Å; D109-K114 PolarHBondContact N-O 3Å; D109-K114 PolarHBondContact O-N 2.91Å
110	F	89.1	Confident	90.1	Very high	58 Å²	58	23.7 Å²	23.7	25%	0.254	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.8	179.3	-65.9	-89.9	0	0	0	112.7	G81 I83 Y108 K113 T274	G81-F110 VanDerWaalsContact O-CB 3.29Å; G81-F110 WeakPolarHBondContact O-CB 3.39Å; G81-F110 WeakPolarHBondContact O-CD2 3.49Å; G81-F110 PolarHBondContact O-N 3.34Å; I83-F110 HydrophobicContact CB-CE2 3.85Å; I83-F110 HydrophobicContact CG2-CD2 4.44Å; I83-F110 HydrophobicContact CG2-CE2 3.46Å; I83-F110 VanDerWaalsContact CG2-CE2 3.46Å; I83-F110 HydrophobicContact CG2-CZ 3.87Å; Y108-F110 AromaticContact CD1-CD1 3.86Å; Y108-F110 HydrophobicContact CD1-CD1 3.86Å; Y108-F110 HydrophobicContact CD1-CD2 4.19Å; Y108-F110 AromaticContact CD1-CE1 3.74Å; Y108-F110 HydrophobicContact CD1-CE1 3.74Å; Y108-F110 HydrophobicContact CD1-CE2 4.1Å; Y108-F110 HydrophobicContact CD1-CG 4.08Å; Y108-F110 AromaticContact CD1-CZ 3.87Å; Y108-F110 HydrophobicContact CD1-CZ 3.87Å; Y108-F110 AromaticContact CE1-CD1 3.52Å; Y108-F110 HydrophobicContact CE1-CD1 3.52Å; Y108-F110 AromaticContact CE1-CE1 3.68Å; Y108-F110 HydrophobicContact CE1-CE1 3.68Å; Y108-F110 HydrophobicContact CE1-CG 4.01Å; Y108-F110 HydrophobicContact CE1-CZ 4.29Å; F110-K113 WeakPolarHBondContact O-CD 3.49Å; F110-K113 WeakPolarHBondContact O-CE 3.46Å; F110-K113 PolarHBondContact O-NZ 2.85Å; F110-T274 HydrophobicContact CZ-CG2 4.49Å
111	I	88.2	Confident	91.1	Very high	120 Å²	120	24 Å²	24	62%	0.615	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-58.1	177.4	-63.5	162.2	0	0	0	108.4	D109 K113	D109-I111 VanDerWaalsContact C-N 3.3Å; D109-I111 WeakPolarHBondContact OD1-CA 3.31Å; D109-I111 WeakPolarHBondContact OD1-CB 3.47Å; D109-I111 PolarHBondContact OD1-N 3.3Å; I111-K113 VanDerWaalsContact C-N 3.31Å; I111-K113 PolarHBondContact O-N 2.78Å
112	N	88.4	Confident	91.8	Very high	51 Å²	51	25 Å²	25	27%	0.273	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.5	-177.5	-65.2	-47.5	0	0	0	113.3	D109 K114 D327	D109-N112 HydrophobicContact CB-CB 4.34Å; D109-N112 PolarHBondContact OD1-N 2.8Å; D109-N112 PolarHBondContact OD2-ND2 3.45Å; N112-K114 HydrophobicContact CB-CG 4.28Å; N112-K114 WeakPolarHBondContact O-CG 3.43Å; N112-K114 PolarHBondContact O-N 3.15Å; N112-D327 PolarHBondContact ND2-OD1 3.33Å; N112-D327 VanDerWaalsContact ND2-OD1 3.1Å
113	K	87.9	Confident	92	Very high	50 Å²	50	24.8 Å²	24.8	22%	0.217	12%	0.119	C	C	.	.			trans	61.3	23.9	-178.9	-51.1	-57.8	-178.2	-172.7	0	114.2	D109 F110 I111 S277 R281 G282 E283	D109-K113 WeakPolarHBondContact O-CA 3.4Å; D109-K113 PolarHBondContact O-N 2.83Å; F110-K113 WeakPolarHBondContact O-CD 3.49Å; F110-K113 WeakPolarHBondContact O-CE 3.46Å; F110-K113 PolarHBondContact O-NZ 2.85Å; I111-K113 VanDerWaalsContact C-N 3.31Å; I111-K113 PolarHBondContact O-N 2.78Å; K113-S277 PolarHBondContact NZ-OG 3.25Å; K113-R281 HydrophobicContact CD-CB 4.3Å; K113-R281 HydrophobicContact CG-CB 4.32Å; K113-G282 WeakPolarHBondContact O-CA 3.3Å; K113-E283 PolarHBondContact O-N 3.31Å
114	K	88.5	Confident	92.1	Very high	45 Å²	45	24.7 Å²	24.7	20%	0.196	12%	0.119	C	C	.	.			trans	-100	148.1	-179.1	-60.3	-168.5	-170.9	165	0	111.9	Y108 D109 N112 E283 D327	Y108-K114 VanDerWaalsContact CD2-O 3.31Å; Y108-K114 WeakPolarHBondContact CD2-O 3.45Å; D109-K114 PolarHBondContact N-O 3Å; D109-K114 PolarHBondContact O-N 2.91Å; N112-K114 HydrophobicContact CB-CG 4.28Å; N112-K114 WeakPolarHBondContact O-CG 3.43Å; N112-K114 PolarHBondContact O-N 3.15Å; K114-E283 WeakPolarHBondContact CD-OE2 3.42Å; K114-E283 VanDerWaalsContact CE-CD 3.41Å; K114-E283 WeakPolarHBondContact CE-OE1 3.32Å; K114-E283 WeakPolarHBondContact CE-OE2 3.5Å; K114-E283 HydrophobicContact CG-CB 4.43Å; K114-E283 HydrophobicContact CG-CG 4.27Å; K114-E283 WeakPolarHBondContact CG-OE2 3.26Å; K114-D327 VanDerWaalsContact CD-OXT 3.22Å; K114-D327 WeakPolarHBondContact CD-OXT 3.39Å; K114-D327 WeakPolarHBondContact CE-OXT 3.2Å; K114-D327 PolarHBondContact NZ-O 3.26Å; K114-D327 PolarHBondContact NZ-OXT 2.87Å
115	M	89.7	Confident	92.2	Very high	34 Å²	34	26.2 Å²	26.2	17%	0.167	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.7	171.8	-178.6	178.7	-73	0	0	109.1	V106 Q107 Y108 F278 V286 K287	V106-M115 HydrophobicContact CG1-CG 4.05Å; V106-M115 HydrophobicContact CG1-SD 4.2Å; Q107-M115 WeakPolarHBondContact O-CA 3.33Å; Y108-M115 HydrophobicContact CD2-CB 4.17Å; Y108-M115 HydrophobicContact CD2-CE 4.42Å; M115-F278 HydrophobicContact CB-CD2 4.33Å; M115-F278 HydrophobicContact CB-CE2 3.94Å; M115-F278 HydrophobicContact CE-CD1 4.22Å; M115-F278 HydrophobicContact CE-CD2 3.74Å; M115-F278 HydrophobicContact CE-CE1 4.28Å; M115-F278 HydrophobicContact CE-CE2 3.82Å; M115-F278 HydrophobicContact CE-CG 3.94Å; M115-F278 HydrophobicContact CE-CZ 4.08Å; M115-F278 HydrophobicContact SD-CE2 4.15Å; M115-F278 HydrophobicContact SD-CZ 4.23Å; M115-V286 HydrophobicContact CB-CG2 4.04Å; M115-V286 HydrophobicContact CG-CG1 4.21Å; M115-V286 HydrophobicContact CG-CG2 4.22Å; M115-V286 HydrophobicContact SD-CG2 4.08Å; M115-K287 PolarHBondContact O-N 2.82Å
116	K	92.6	Very high	92.2	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.1	177.9	-63.5	-177.9	-173.6	171.4	0	109.5	V106 Q107 K287 F323 L324 E326	V106-K116 WeakPolarHBondContact CA-O 3.19Å; Q107-K116 HydrophobicContact CB-CB 4.49Å; Q107-K116 PolarHBondContact N-O 3.25Å; Q107-K116 PolarHBondContact O-N 3.05Å; K116-K287 WeakPolarHBondContact CA-O 3.27Å; K116-K287 HydrophobicContact CG-CB 4.42Å; K116-F323 HydrophobicContact CB-CE1 3.66Å; K116-F323 HydrophobicContact CB-CZ 3.75Å; K116-F323 HydrophobicContact CD-CD1 4.44Å; K116-F323 HydrophobicContact CD-CE1 4.16Å; K116-F323 HydrophobicContact CD-CZ 4.33Å; K116-F323 VanDerWaalsContact CD-O 3.22Å; K116-F323 WeakPolarHBondContact CD-O 3.47Å; K116-F323 VanDerWaalsContact CE-O 3.29Å; K116-F323 WeakPolarHBondContact CE-O 3.31Å; K116-F323 HydrophobicContact CG-CE1 4.32Å; K116-F323 HydrophobicContact CG-CZ 4.2Å; K116-F323 PolarHBondContact NZ-O 3.15Å; K116-L324 VanDerWaalsContact NZ-C 3.32Å; K116-L324 PolarHBondContact NZ-O 3.13Å; K116-E326 VanDerWaalsContact CE-O 3.27Å; K116-E326 WeakPolarHBondContact CE-O 3.27Å; K116-E326 PolarHBondContact NZ-O 2.71Å
117	M	93.5	Very high	92.3	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.044	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.3	178.9	-58.5	-171.9	-61.5	0	0	111	M104 V105 V106 M235 V286 K287 S288 L289	M104-M117 HydrophobicContact SD-CB 4.28Å; M104-M117 HydrophobicContact SD-SD 4.06Å; V105-M117 CarbonylContact O-C 3.58Å; V105-M117 WeakPolarHBondContact O-CA 3.37Å; V106-M117 HydrophobicContact CG1-CG 4.3Å; V106-M117 HydrophobicContact CG2-CG 4.1Å; V106-M117 HydrophobicContact CG2-SD 4.47Å; M117-M235 HydrophobicContact CE-CB 4.2Å; M117-M235 HydrophobicContact CE-CG 3.61Å; M117-M235 HydrophobicContact SD-CG 3.83Å; M117-V286 HydrophobicContact CB-CG1 4.42Å; M117-V286 HydrophobicContact CE-CB 4.33Å; M117-V286 HydrophobicContact CE-CG1 3.35Å; M117-V286 HydrophobicContact CG-CG1 3.66Å; M117-V286 HydrophobicContact SD-CG1 3.94Å; M117-K287 PolarHBondContact N-O 3.43Å; M117-S288 CarbonylContact O-C 3.54Å; M117-S288 WeakPolarHBondContact O-CA 3.24Å; M117-L289 PolarHBondContact O-N 3.46Å
118	M	94.5	Very high	92.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.4	174	-56	-174.7	-64.5	0	0	109.2	M104 V105 I158 L289 I320 F323 L324	M104-M118 CarbonylContact C-O 3.45Å; M104-M118 VanDerWaalsContact CA-O 3.23Å; M104-M118 WeakPolarHBondContact CA-O 3.44Å; M104-M118 WeakPolarHBondContact CG-O 3.43Å; V105-M118 HydrophobicContact CB-CB 4.43Å; V105-M118 HydrophobicContact CB-CE 3.83Å; V105-M118 HydrophobicContact CG1-CE 3.83Å; V105-M118 PolarHBondContact N-O 3.11Å; V105-M118 PolarHBondContact O-N 3.39Å; M118-I158 HydrophobicContact CE-CD1 3.83Å; M118-I158 HydrophobicContact CE-CG1 3.97Å; M118-I158 HydrophobicContact CE-CG2 4.07Å; M118-L289 CarbonylContact C-O 3.58Å; M118-L289 VanDerWaalsContact CA-O 3.29Å; M118-L289 WeakPolarHBondContact CA-O 3.2Å; M118-L289 HydrophobicContact CG-CB 4.1Å; M118-L289 HydrophobicContact CG-CD2 4.47Å; M118-L289 HydrophobicContact SD-CD2 4.29Å; M118-I320 HydrophobicContact CE-CG2 4.38Å; M118-I320 HydrophobicContact SD-CG1 4.33Å; M118-I320 HydrophobicContact SD-CG2 4Å; M118-F323 HydrophobicContact CG-CD1 3.65Å; M118-F323 HydrophobicContact CG-CE1 3.41Å; M118-F323 VanDerWaalsContact CG-CE1 3.41Å; M118-F323 HydrophobicContact CG-CZ 4.45Å; M118-F323 HydrophobicContact SD-CD1 3.76Å; M118-F323 HydrophobicContact SD-CE1 4.13Å; M118-L324 HydrophobicContact CE-CD1 3.98Å; M118-L324 HydrophobicContact CE-CD2 3.77Å; M118-L324 HydrophobicContact CE-CG 4.14Å; M118-L324 HydrophobicContact SD-CD1 4.37Å; M118-L324 HydrophobicContact SD-CD2 3.94Å; M118-L324 HydrophobicContact SD-CG 4.06Å
119	S	94.3	Very high	92.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.4	173.4	-61.4	0	0	0	0	109.2	V228 L289 V291	S119-V228 VanDerWaalsContact CB-CG1 3.42Å; S119-L289 PolarHBondContact N-O 3.06Å; S119-V291 PolarHBondContact O-N 2.99Å
120	V	95	Very high	92.9	Very high	6 Å²	6	32 Å²	32	4%	0.036	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.2	-179.5	-175.8	0	0	0	0	108.9	I103 I124 I136 L152 L156 I158 V291	I103-V120 HydrophobicContact CB-CB 4.15Å; I103-V120 HydrophobicContact CG2-CB 3.91Å; I103-V120 HydrophobicContact CG2-CG2 4.4Å; I103-V120 PolarHBondContact O-N 2.89Å; V120-I124 HydrophobicContact CG1-CD1 3.66Å; V120-I136 HydrophobicContact CG1-CD1 4.32Å; V120-L152 HydrophobicContact CG1-CD2 4.11Å; V120-L152 HydrophobicContact CG2-CD2 4.25Å; V120-L156 HydrophobicContact CG1-CD1 3.84Å; V120-L156 HydrophobicContact CG2-CD1 4.44Å; V120-I158 HydrophobicContact CG2-CD1 4.29Å; V120-V291 HydrophobicContact CG2-CB 4.39Å
121	M	92.9	Very high	93.2	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.03	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-65.7	135.7	177.8	-72.1	168.7	65.5	0	0	110.3	D123 I124 I136 D224 F225 V228 T290 V291 P292 L309	M121-D123 VanDerWaalsContact C-N 3.28Å; M121-D123 PolarHBondContact O-N 3.49Å; M121-I124 HydrophobicContact CB-CG1 4.46Å; M121-I124 WeakPolarHBondContact O-CD1 3.05Å; M121-I124 WeakPolarHBondContact O-CG1 3.33Å; M121-I136 WeakPolarHBondContact O-CG2 3.35Å; M121-D224 HydrophobicContact CE-CB 3.21Å; M121-D224 HydrophobicContact CG-CB 4.2Å; M121-D224 HydrophobicContact SD-CB 4.25Å; M121-F225 HydrophobicContact CE-CD2 3.92Å; M121-F225 HydrophobicContact CE-CE2 3.54Å; M121-F225 HydrophobicContact CE-CZ 4.13Å; M121-F225 HydrophobicContact SD-CD1 4.49Å; M121-F225 HydrophobicContact SD-CD2 4.16Å; M121-F225 HydrophobicContact SD-CE1 4.06Å; M121-F225 HydrophobicContact SD-CE2 3.65Å; M121-F225 HydrophobicContact SD-CZ 3.61Å; M121-V228 HydrophobicContact CG-CG2 4.39Å; M121-T290 HydrophobicContact CG-CG2 4.48Å; M121-T290 HydrophobicContact SD-CG2 4.22Å; M121-V291 WeakPolarHBondContact CB-O 3.47Å; M121-V291 WeakPolarHBondContact CG-O 3.32Å; M121-V291 PolarHBondContact N-O 2.85Å; M121-P292 HydrophobicContact SD-CG 4.44Å; M121-L309 HydrophobicContact CB-CD1 4.4Å; M121-L309 HydrophobicContact CE-CD1 3.42Å; M121-L309 VanDerWaalsContact CE-CD1 3.42Å; M121-L309 HydrophobicContact SD-CD1 4.43Å
122	R	90.4	Very high	93.5	Very high	52 Å²	52	30.7 Å²	30.7	20%	0.196	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-24.3	-170.9	75.3	176.8	-166.8	-165	-6.4	114.1	D101 I124 I136 N137	D101-R122 IonicContact OD1-NH1 3.11Å; D101-R122 PolarHBondContact OD1-NH1 3.4Å; R122-I124 VanDerWaalsContact C-N 3.34Å; R122-I136 WeakPolarHBondContact O-CG2 3.26Å; R122-N137 HydrophobicContact CB-CB 3.91Å; R122-N137 PolarHBondContact O-N 3.35Å; R122-N137 PolarHBondContact O-OD1 2.92Å
123	D	91.5	Very high	93.8	Very high	18 Å²	18	33.5 Å²	33.5	10%	0.096	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.5	-172.2	-67.8	-52.8	0	0	0	112.4	M121 Y125 K135 R218 A308 L309	M121-D123 VanDerWaalsContact C-N 3.28Å; M121-D123 PolarHBondContact O-N 3.49Å; D123-Y125 PolarHBondContact O-N 3.37Å; D123-K135 WeakPolarHBondContact OD1-CD 3.33Å; D123-K135 WeakPolarHBondContact OD1-CE 3.3Å; D123-K135 IonicContact OD1-NZ 2.87Å; D123-K135 PolarHBondContact OD1-NZ 3.38Å; D123-R218 IonicContact OD2-CZ 3Å; D123-R218 IonicContact OD2-NH1 3.31Å; D123-R218 IonicContact OD2-NH2 2.8Å; D123-R218 PolarHBondContact OD2-NH2 3.48Å; D123-A308 CarbonylContact O-C 3.6Å; D123-A308 WeakPolarHBondContact O-CA 3.44Å; D123-A308 WeakPolarHBondContact O-CB 3.42Å; D123-L309 HydrophobicContact CB-CD1 4.45Å; D123-L309 HydrophobicContact CB-CG 4.29Å; D123-L309 PolarHBondContact O-N 2.86Å
124	I	95.1	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-56.9	125	173.8	-67.2	172	0	0	0	110.1	V120 M121 R122 A126 K135 I136 L156 V291 I311	V120-I124 HydrophobicContact CG1-CD1 3.66Å; M121-I124 HydrophobicContact CB-CG1 4.46Å; M121-I124 WeakPolarHBondContact O-CD1 3.05Å; M121-I124 WeakPolarHBondContact O-CG1 3.33Å; R122-I124 VanDerWaalsContact C-N 3.34Å; I124-A126 HydrophobicContact CG2-CB 4.43Å; I124-A126 PolarHBondContact O-N 2.75Å; I124-K135 CarbonylContact O-C 3.53Å; I124-K135 WeakPolarHBondContact O-CA 3.48Å; I124-I136 HydrophobicContact CB-CB 4.24Å; I124-I136 HydrophobicContact CB-CG2 3.96Å; I124-I136 PolarHBondContact O-N 2.96Å; I124-L156 HydrophobicContact CD1-CD1 4.4Å; I124-V291 HydrophobicContact CD1-CG1 4.17Å; I124-I311 HydrophobicContact CG1-CG2 4.15Å; I124-I311 HydrophobicContact CG2-CD1 3.97Å; I124-I311 HydrophobicContact CG2-CG1 4.33Å; I124-I311 HydrophobicContact CG2-CG2 3.97Å
125	Y	95.7	Very high	94.4	Very high	45 Å²	45	32.6 Å²	32.6	18%	0.176	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	105.9	174.7	-163.6	-136.2	0	0	0	109.8	D123 K133 T302 A308 L309	D123-Y125 PolarHBondContact O-N 3.37Å; Y125-K133 HydrophobicContact CD1-CD 4.34Å; Y125-K133 HydrophobicContact CD2-CB 4.44Å; Y125-K133 HydrophobicContact CE1-CB 3.93Å; Y125-K133 HydrophobicContact CE1-CD 3.73Å; Y125-K133 HydrophobicContact CE1-CG 4.48Å; Y125-K133 HydrophobicContact CE2-CB 3.69Å; Y125-K133 WeakPolarHBondContact CE2-O 3.31Å; Y125-K133 VanDerWaalsContact CZ-CB 3.4Å; Y125-K133 WeakPolarHBondContact OH-CB 3.26Å; Y125-T302 HydrophobicContact CD1-CG2 4.28Å; Y125-T302 HydrophobicContact CD2-CG2 3.77Å; Y125-T302 HydrophobicContact CE1-CG2 4.05Å; Y125-T302 HydrophobicContact CE2-CG2 3.54Å; Y125-T302 HydrophobicContact CG-CG2 4.15Å; Y125-A308 HydrophobicContact CD2-CB 4.27Å; Y125-A308 HydrophobicContact CG-CB 4.34Å; Y125-L309 PolarHBondContact N-O 3.04Å
126	A	95.8	Very high	94.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.3	-168.6	0	0	0	0	0	110.9	I124 I128 K133 H134 I136 T151 N155	I124-A126 HydrophobicContact CG2-CB 4.43Å; I124-A126 PolarHBondContact O-N 2.75Å; A126-I128 PolarHBondContact O-N 3.29Å; A126-K133 WeakPolarHBondContact O-CA 3.42Å; A126-H134 PolarHBondContact N-O 2.84Å; A126-H134 PolarHBondContact O-N 2.91Å; A126-I136 HydrophobicContact CB-CB 3.99Å; A126-I136 HydrophobicContact CB-CD1 4.27Å; A126-I136 HydrophobicContact CB-CG1 4.1Å; A126-T151 HydrophobicContact CB-CG2 3.93Å; A126-N155 HydrophobicContact CB-CB 4.31Å
127	D	96.8	Very high	94.6	Very high	45 Å²	45	31.9 Å²	31.9	24%	0.241	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.5	170.5	178.6	-17.6	0	0	0	108.9	K133 K154 N155	D127-K133 HydrophobicContact CB-CG 4.44Å; D127-K154 VanDerWaalsContact CG-CE 3.43Å; D127-K154 IonicContact OD1-NZ 3.11Å; D127-K154 PolarHBondContact OD1-NZ 2.92Å; D127-K154 WeakPolarHBondContact OD2-CE 3.17Å; D127-K154 IonicContact OD2-NZ 3.12Å; D127-K154 PolarHBondContact OD2-NZ 3.45Å; D127-N155 PolarHBondContact N-ND2 2.92Å; D127-N155 PolarHBondContact N-OD1 3.45Å; D127-N155 PolarHBondContact O-ND2 3.12Å
128	I	96.7	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.5	179.3	-55.1	-174.9	0	0	0	108.7	A126 G130 Y131 G132 H134 A139 L142 L147 T151	A126-I128 PolarHBondContact O-N 3.29Å; I128-G130 PolarHBondContact O-N 3.23Å; I128-G130 VanDerWaalsContact O-N 3.16Å; I128-Y131 HydrophobicContact CG2-CD2 3.94Å; I128-Y131 HydrophobicContact CG2-CG 4.35Å; I128-Y131 PolarHBondContact O-N 2.92Å; I128-G132 PolarHBondContact N-O 3.36Å; I128-G132 PolarHBondContact O-N 3.24Å; I128-G132 VanDerWaalsContact O-N 3.1Å; I128-H134 HydrophobicContact CD1-CB 3.65Å; I128-H134 HydrophobicContact CG1-CB 4.37Å; I128-A139 HydrophobicContact CD1-CB 3.9Å; I128-A139 HydrophobicContact CG1-CB 4.27Å; I128-A139 HydrophobicContact CG2-CB 4.14Å; I128-L142 HydrophobicContact CD1-CD1 4.17Å; I128-L147 HydrophobicContact CG2-CD1 3.97Å; I128-L147 HydrophobicContact CG2-CD2 3.84Å; I128-L147 HydrophobicContact CG2-CG 3.92Å; I128-T151 HydrophobicContact CG1-CG2 4Å
129	P	97.5	Very high	94.5	Very high	41 Å²	41	32.6 Å²	32.6	27%	0.266	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	120.9	179.4	-26.5	35.2	0	0	0	112.7	Y131 L147 K150 T151 K154	P129-Y131 VanDerWaalsContact C-N 3.32Å; P129-Y131 WeakPolarHBondContact O-CD2 3.39Å; P129-L147 HydrophobicContact CB-CD1 4.36Å; P129-K150 HydrophobicContact CG-CB 4.16Å; P129-T151 WeakPolarHBondContact CD-OG1 3.28Å; P129-K154 HydrophobicContact CG-CD 4.22Å
130	G	96.5	Very high	94.4	Very high	82 Å²	82	33.5 Å²	33.5	85%	0.845	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	-6.1	179.9	0	0	0	0	0	115.6	I128	I128-G130 PolarHBondContact O-N 3.23Å; I128-G130 VanDerWaalsContact O-N 3.16Å
131	Y	95	Very high	94	Very high	115 Å²	115	35.1 Å²	35.1	45%	0.451	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-8.9	-176.6	-64.2	-89.2	0	0	0	114	I128 P129 H134 L142 L147	I128-Y131 HydrophobicContact CG2-CD2 3.94Å; I128-Y131 HydrophobicContact CG2-CG 4.35Å; I128-Y131 PolarHBondContact O-N 2.92Å; P129-Y131 VanDerWaalsContact C-N 3.32Å; P129-Y131 WeakPolarHBondContact O-CD2 3.39Å; Y131-H134 PolarHBondContact O-CD2 3.47Å; Y131-H134 PolarHBondContact O-NE2 3.45Å; Y131-L142 HydrophobicContact CD1-CB 4.48Å; Y131-L142 HydrophobicContact CD1-CD1 3.89Å; Y131-L142 HydrophobicContact CD1-CD2 4.01Å; Y131-L142 HydrophobicContact CD1-CG 4.35Å; Y131-L142 HydrophobicContact CD2-CD1 4.43Å; Y131-L142 HydrophobicContact CE1-CB 4.26Å; Y131-L142 HydrophobicContact CE1-CD1 4.46Å; Y131-L142 HydrophobicContact CE1-CD2 3.97Å; Y131-L142 HydrophobicContact CE1-CG 4.46Å; Y131-L142 HydrophobicContact CE2-CB 4.38Å; Y131-L142 HydrophobicContact CG-CD1 3.87Å; Y131-L147 HydrophobicContact CD2-CD2 3.76Å; Y131-L147 HydrophobicContact CE2-CD2 3.53Å
132	G	94.6	Very high	93.9	Very high	36 Å²	36	38.1 Å²	38.1	37%	0.371	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.8	-157.2	-179.4	0	0	0	0	0	112.5	I128	I128-G132 PolarHBondContact N-O 3.36Å; I128-G132 PolarHBondContact O-N 3.24Å; I128-G132 VanDerWaalsContact O-N 3.1Å
133	K	95	Very high	93.9	Very high	111 Å²	111	37.5 Å²	37.5	48%	0.483	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.5	-175.2	-67.8	-171.5	178.7	-178.8	0	111.6	Y125 A126 D127	Y125-K133 HydrophobicContact CD1-CD 4.34Å; Y125-K133 HydrophobicContact CD2-CB 4.44Å; Y125-K133 HydrophobicContact CE1-CB 3.93Å; Y125-K133 HydrophobicContact CE1-CD 3.73Å; Y125-K133 HydrophobicContact CE1-CG 4.48Å; Y125-K133 HydrophobicContact CE2-CB 3.69Å; Y125-K133 WeakPolarHBondContact CE2-O 3.31Å; Y125-K133 VanDerWaalsContact CZ-CB 3.4Å; Y125-K133 WeakPolarHBondContact OH-CB 3.26Å; A126-K133 WeakPolarHBondContact O-CA 3.42Å; D127-K133 HydrophobicContact CB-CG 4.44Å
134	H	95.2	Very high	93.8	Very high	42 Å²	42	37.1 Å²	37.1	19%	0.194	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	177.3	176.9	-70.7	-70.5	0	0	0	110.2	A126 I128 Y131 D305	A126-H134 PolarHBondContact N-O 2.84Å; A126-H134 PolarHBondContact O-N 2.91Å; I128-H134 HydrophobicContact CD1-CB 3.65Å; I128-H134 HydrophobicContact CG1-CB 4.37Å; Y131-H134 PolarHBondContact O-CD2 3.47Å; Y131-H134 PolarHBondContact O-NE2 3.45Å; H134-D305 WeakPolarHBondContact CA-OD2 3.35Å; H134-D305 IonicContact CE1-OD2 3.06Å; H134-D305 IonicContact CG-OD2 2.72Å; H134-D305 IonicContact ND1-OD1 3.61Å; H134-D305 PolarHBondContact ND1-OD1 3.22Å; H134-D305 IonicContact ND1-OD2 3.48Å; H134-D305 PolarHBondContact ND1-OD2 2.91Å
135	K	94.1	Very high	93.7	Very high	34 Å²	34	37.1 Å²	37.1	15%	0.148	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142.5	166.6	-68.8	176.7	176.1	-164.5	0	110.9	D123 I124 N137 S138 D305 S307 A308	D123-K135 WeakPolarHBondContact OD1-CD 3.33Å; D123-K135 WeakPolarHBondContact OD1-CE 3.3Å; D123-K135 IonicContact OD1-NZ 2.87Å; D123-K135 PolarHBondContact OD1-NZ 3.38Å; I124-K135 CarbonylContact O-C 3.53Å; I124-K135 WeakPolarHBondContact O-CA 3.48Å; K135-N137 WeakPolarHBondContact CB-OD1 3.42Å; K135-N137 PolarHBondContact O-N 3.36Å; K135-S138 WeakPolarHBondContact O-CB 3.27Å; K135-S138 PolarHBondContact O-N 3.28Å; K135-S138 PolarHBondContact O-OG 3.02Å; K135-D305 HydrophobicContact CD-CB 4.02Å; K135-D305 WeakPolarHBondContact CE-O 3.47Å; K135-D305 HydrophobicContact CG-CB 3.88Å; K135-D305 PolarHBondContact NZ-O 2.82Å; K135-S307 WeakPolarHBondContact CE-O 3.4Å; K135-S307 PolarHBondContact NZ-O 2.7Å; K135-A308 HydrophobicContact CG-CB 4.08Å
136	I	94.8	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.1	-172.9	-163	162.6	0	0	0	112.9	I103 V120 M121 R122 I124 A126 S138 A139 L148 T151 L152 L156	I103-I136 HydrophobicContact CD1-CG2 4.03Å; V120-I136 HydrophobicContact CG1-CD1 4.32Å; M121-I136 WeakPolarHBondContact O-CG2 3.35Å; R122-I136 WeakPolarHBondContact O-CG2 3.26Å; I124-I136 HydrophobicContact CB-CB 4.24Å; I124-I136 HydrophobicContact CB-CG2 3.96Å; I124-I136 PolarHBondContact O-N 2.96Å; A126-I136 HydrophobicContact CB-CB 3.99Å; A126-I136 HydrophobicContact CB-CD1 4.27Å; A126-I136 HydrophobicContact CB-CG1 4.1Å; I136-S138 VanDerWaalsContact C-N 3.27Å; I136-S138 PolarHBondContact O-N 2.96Å; I136-A139 VanDerWaalsContact O-CB 3.28Å; I136-A139 WeakPolarHBondContact O-CB 3.45Å; I136-A139 PolarHBondContact O-N 3.45Å; I136-L148 HydrophobicContact CG1-CD1 4.01Å; I136-T151 HydrophobicContact CD1-CG2 4.38Å; I136-T151 HydrophobicContact CG1-CG2 3.9Å; I136-L152 HydrophobicContact CD1-CD2 3.63Å; I136-L152 HydrophobicContact CD1-CG 4.41Å; I136-L156 HydrophobicContact CD1-CD1 4.19Å
137	N	91.9	Very high	93.6	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.134	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.1	175.4	67.4	-24.9	0	0	0	114.1	I103 R122 K135 A139 Y140	I103-N137 HydrophobicContact CD1-CB 4.27Å; R122-N137 HydrophobicContact CB-CB 3.91Å; R122-N137 PolarHBondContact O-N 3.35Å; R122-N137 PolarHBondContact O-OD1 2.92Å; K135-N137 WeakPolarHBondContact CB-OD1 3.42Å; K135-N137 PolarHBondContact O-N 3.36Å; N137-A139 PolarHBondContact O-N 3.38Å; N137-Y140 PolarHBondContact O-N 3.4Å
138	S	92	Very high	93.6	Very high	25 Å²	25	34.8 Å²	34.8	18%	0.175	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-27.6	174.3	-58.4	0	0	0	0	111.3	K135 I136 Y140 A141 L142	K135-S138 WeakPolarHBondContact O-CB 3.27Å; K135-S138 PolarHBondContact O-N 3.28Å; K135-S138 PolarHBondContact O-OG 3.02Å; I136-S138 VanDerWaalsContact C-N 3.27Å; I136-S138 PolarHBondContact O-N 2.96Å; S138-Y140 VanDerWaalsContact C-N 3.26Å; S138-Y140 PolarHBondContact O-N 3.03Å; S138-A141 PolarHBondContact O-N 3.23Å; S138-A141 VanDerWaalsContact O-N 3.12Å; S138-L142 WeakPolarHBondContact O-CB 3.41Å; S138-L142 WeakPolarHBondContact O-CD1 3.35Å; S138-L142 WeakPolarHBondContact O-CG 3.26Å; S138-L142 PolarHBondContact O-N 3.48Å
139	A	93.7	Very high	93.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-37.5	176.7	0	0	0	0	0	112.5	I128 I136 N137 G143 L147 L148 T151	I128-A139 HydrophobicContact CD1-CB 3.9Å; I128-A139 HydrophobicContact CG1-CB 4.27Å; I128-A139 HydrophobicContact CG2-CB 4.14Å; I136-A139 VanDerWaalsContact O-CB 3.28Å; I136-A139 WeakPolarHBondContact O-CB 3.45Å; I136-A139 PolarHBondContact O-N 3.45Å; N137-A139 PolarHBondContact O-N 3.38Å; A139-G143 PolarHBondContact O-N 2.87Å; A139-L147 HydrophobicContact CB-CG 4.27Å; A139-L147 WeakPolarHBondContact O-CD2 3.48Å; A139-L148 HydrophobicContact CB-CB 4.24Å; A139-L148 HydrophobicContact CB-CD1 4.13Å; A139-T151 HydrophobicContact CB-CG2 4.23Å; A139-T151 WeakPolarHBondContact CB-OG1 3.46Å
140	Y	91.6	Very high	93.6	Very high	20 Å²	20	38.3 Å²	38.3	8%	0.078	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-43.7	175.4	-178.8	-91.5	0	0	0	112	L88 A90 T100 N137 S138 L142 G144 P145 V165	L88-Y140 HydrophobicContact CD1-CD2 3.64Å; L88-Y140 HydrophobicContact CD1-CE2 3.72Å; A90-Y140 HydrophobicContact CB-CE1 4.48Å; T100-Y140 HydrophobicContact CG2-CD1 3.39Å; T100-Y140 HydrophobicContact CG2-CD2 3.67Å; T100-Y140 HydrophobicContact CG2-CE1 3.74Å; T100-Y140 HydrophobicContact CG2-CE2 4Å; T100-Y140 HydrophobicContact CG2-CG 3.33Å; N137-Y140 PolarHBondContact O-N 3.4Å; S138-Y140 VanDerWaalsContact C-N 3.26Å; S138-Y140 PolarHBondContact O-N 3.03Å; Y140-L142 VanDerWaalsContact C-N 3.26Å; Y140-L142 PolarHBondContact O-N 3.08Å; Y140-G144 WeakPolarHBondContact O-CA 3.23Å; Y140-G144 PolarHBondContact O-N 3.09Å; Y140-P145 HydrophobicContact CD2-CG 4.37Å; Y140-P145 HydrophobicContact CE2-CG 3.84Å; Y140-V165 HydrophobicContact CE2-CG2 4.11Å
141	A	87.9	Confident	93.7	Very high	40 Å²	40	34.4 Å²	34.4	33%	0.331	19%	0.187	S	C	.	.	H	α-helix	trans	-64.4	-32.7	179	0	0	0	0	0	112.3	S138	S138-A141 PolarHBondContact O-N 3.23Å; S138-A141 VanDerWaalsContact O-N 3.12Å
142	L	90.7	Very high	93.8	Very high	69 Å²	69	28.9 Å²	28.9	36%	0.361	17%	0.165	S	C	.	.	H	α-helix	trans	-82.8	-37.4	-178.2	-68.4	167.2	0	0	0	113.5	I128 Y131 S138 Y140 L147	I128-L142 HydrophobicContact CD1-CD1 4.17Å; Y131-L142 HydrophobicContact CD1-CB 4.48Å; Y131-L142 HydrophobicContact CD1-CD1 3.89Å; Y131-L142 HydrophobicContact CD1-CD2 4.01Å; Y131-L142 HydrophobicContact CD1-CG 4.35Å; Y131-L142 HydrophobicContact CD2-CD1 4.43Å; Y131-L142 HydrophobicContact CE1-CB 4.26Å; Y131-L142 HydrophobicContact CE1-CD1 4.46Å; Y131-L142 HydrophobicContact CE1-CD2 3.97Å; Y131-L142 HydrophobicContact CE1-CG 4.46Å; Y131-L142 HydrophobicContact CE2-CB 4.38Å; Y131-L142 HydrophobicContact CG-CD1 3.87Å; S138-L142 WeakPolarHBondContact O-CB 3.41Å; S138-L142 WeakPolarHBondContact O-CD1 3.35Å; S138-L142 WeakPolarHBondContact O-CG 3.26Å; S138-L142 PolarHBondContact O-N 3.48Å; Y140-L142 VanDerWaalsContact C-N 3.26Å; Y140-L142 PolarHBondContact O-N 3.08Å; L142-L147 HydrophobicContact CB-CD2 3.89Å
143	G	90.1	Very high	93.9	Very high	40 Å²	40	30.1 Å²	30.1	41%	0.412	16%	0.163	S	C	.	.	H	α-helix	trans	-148.5	15.6	-171.1	0	0	0	0	0	115.4	A139	A139-G143 PolarHBondContact O-N 2.87Å
144	G	90.1	Very high	94	Very high	9 Å²	9	29.2 Å²	29.2	9%	0.093	16%	0.159	C	C	.	.	H	α-helix	trans	68.6	-163.4	176.3	0	0	0	0	0	114.6	Y140 E146 L147 L148	Y140-G144 WeakPolarHBondContact O-CA 3.23Å; Y140-G144 PolarHBondContact O-N 3.09Å; G144-E146 VanDerWaalsContact C-N 3.28Å; G144-E146 PolarHBondContact O-N 3.23Å; G144-L147 PolarHBondContact O-N 2.95Å; G144-L148 PolarHBondContact O-N 3.28Å
145	P	92.2	Very high	94.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-54.3	-38.8	-177.5	-26.8	33.6	0	0	0	114.2	H71 F73 L88 Y140 L148 R149 Y163 V165	H71-P145 HydrophobicContact CB-CG 3.95Å; H71-P145 VanDerWaalsContact CG-CD 3.5Å; F73-P145 HydrophobicContact CD2-CB 3.7Å; F73-P145 HydrophobicContact CE2-CB 3.94Å; F73-P145 WeakPolarHBondContact CE2-O 3.38Å; L88-P145 HydrophobicContact CD1-CB 4.47Å; Y140-P145 HydrophobicContact CD2-CG 4.37Å; Y140-P145 HydrophobicContact CE2-CG 3.84Å; P145-L148 PolarHBondContact O-N 2.95Å; P145-R149 PolarHBondContact O-N 2.83Å; P145-Y163 HydrophobicContact CB-CD1 4.14Å; P145-Y163 HydrophobicContact CB-CD2 3.97Å; P145-Y163 HydrophobicContact CB-CE2 4.39Å; P145-Y163 HydrophobicContact CB-CG 3.84Å; P145-Y163 HydrophobicContact CG-CD2 3.84Å; P145-Y163 HydrophobicContact CG-CE2 3.9Å; P145-Y163 HydrophobicContact CG-CG 4.22Å; P145-V165 HydrophobicContact CG-CG2 4.08Å
146	E	94.7	Very high	94.3	Very high	21 Å²	21	25.7 Å²	25.7	10%	0.098	14%	0.143	C	C	.	.	H	α-helix	trans	-69.6	-42	-176.4	176.2	61.1	-172.8	0	0	112.6	Q72 F73 N74 G144 L148 R149 K150	Q72-E146 WeakPolarHBondContact O-CB 3.42Å; F73-E146 HydrophobicContact CD2-CB 4.41Å; N74-E146 PolarHBondContact N-OE2 3.12Å; G144-E146 VanDerWaalsContact C-N 3.28Å; G144-E146 PolarHBondContact O-N 3.23Å; E146-L148 VanDerWaalsContact C-N 3.3Å; E146-L148 PolarHBondContact O-N 2.78Å; E146-R149 WeakPolarHBondContact O-CB 3.47Å; E146-R149 PolarHBondContact O-N 3.22Å; E146-R149 IonicContact OE1-CZ 2.74Å; E146-R149 IonicContact OE1-NE 3.25Å; E146-R149 IonicContact OE1-NH2 3.63Å; E146-R149 PolarHBondContact OE1-NH2 2.94Å; E146-R149 IonicContact OE2-CZ 3.55Å; E146-R149 IonicContact OE2-NE 3.97Å; E146-R149 PolarHBondContact OE2-NE 2.71Å; E146-R149 IonicContact OE2-NH2 2.86Å; E146-K150 WeakPolarHBondContact O-CG 3.37Å; E146-K150 PolarHBondContact O-N 2.73Å; E146-K150 WeakPolarHBondContact OE1-CE 3.25Å; E146-K150 IonicContact OE1-NZ 3.33Å
147	L	95.4	Very high	94.3	Very high	19 Å²	19	27.7 Å²	27.7	10%	0.099	17%	0.165	C	C	.	.	H	α-helix	trans	-66.4	-38	175.4	-176.1	59.3	0	0	0	110.9	I128 P129 Y131 A139 L142 G144 K150 T151	I128-L147 HydrophobicContact CG2-CD1 3.97Å; I128-L147 HydrophobicContact CG2-CD2 3.84Å; I128-L147 HydrophobicContact CG2-CG 3.92Å; P129-L147 HydrophobicContact CB-CD1 4.36Å; Y131-L147 HydrophobicContact CD2-CD2 3.76Å; Y131-L147 HydrophobicContact CE2-CD2 3.53Å; A139-L147 HydrophobicContact CB-CG 4.27Å; A139-L147 WeakPolarHBondContact O-CD2 3.48Å; L142-L147 HydrophobicContact CB-CD2 3.89Å; G144-L147 PolarHBondContact O-N 2.95Å; L147-K150 PolarHBondContact O-N 3.49Å; L147-T151 WeakPolarHBondContact O-CB 3.39Å; L147-T151 PolarHBondContact O-N 3.38Å; L147-T151 PolarHBondContact O-OG1 2.92Å
148	L	95.9	Very high	94.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-43	173.6	179.5	57.3	0	0	0	111.5	L86 L88 I103 I136 A139 G144 P145 E146 K150 T151 L152	L86-L148 HydrophobicContact CD2-CD2 4.12Å; L86-L148 HydrophobicContact CD2-CG 4.15Å; L88-L148 HydrophobicContact CD1-CD2 3.97Å; L88-L148 HydrophobicContact CD2-CD2 3.5Å; L88-L148 VanDerWaalsContact CD2-CD2 3.5Å; L88-L148 HydrophobicContact CG-CD2 4.41Å; I103-L148 HydrophobicContact CD1-CD1 4.22Å; I103-L148 HydrophobicContact CD1-CD2 4.26Å; I103-L148 HydrophobicContact CG1-CD2 4.28Å; I103-L148 HydrophobicContact CG2-CD2 4.32Å; I136-L148 HydrophobicContact CG1-CD1 4.01Å; A139-L148 HydrophobicContact CB-CB 4.24Å; A139-L148 HydrophobicContact CB-CD1 4.13Å; G144-L148 PolarHBondContact O-N 3.28Å; P145-L148 PolarHBondContact O-N 2.95Å; E146-L148 VanDerWaalsContact C-N 3.3Å; E146-L148 PolarHBondContact O-N 2.78Å; L148-K150 PolarHBondContact O-N 2.92Å; L148-T151 WeakPolarHBondContact O-CB 3.41Å; L148-T151 PolarHBondContact O-N 3.33Å; L148-T151 VanDerWaalsContact O-N 3.16Å; L148-L152 HydrophobicContact CD1-CD1 4.36Å; L148-L152 HydrophobicContact CD1-CG 4.12Å; L148-L152 HydrophobicContact CG-CD1 4.14Å; L148-L152 HydrophobicContact CG-CG 4.39Å; L148-L152 VanDerWaalsContact O-CG 3.32Å; L148-L152 WeakPolarHBondContact O-CG 3.32Å; L148-L152 PolarHBondContact O-N 3.41Å
149	R	97	Very high	94.7	Very high	20 Å²	20	27.1 Å²	27.1	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-56	-51.1	174.4	-174.1	-165.2	63.8	80.2	-4	111.6	F73 N74 P145 E146 T151 L152 D153 N159 P160	F73-R149 HydrophobicContact CE1-CG 4.47Å; F73-R149 HydrophobicContact CE2-CB 3.68Å; F73-R149 HydrophobicContact CE2-CG 4.15Å; F73-R149 HydrophobicContact CZ-CB 3.86Å; F73-R149 VanDerWaalsContact CZ-CD 3.46Å; F73-R149 HydrophobicContact CZ-CG 3.79Å; N74-R149 PolarHBondContact O-NE 2.83Å; N74-R149 PolarHBondContact O-NH2 2.83Å; N74-R149 VanDerWaalsContact O-NH2 3.15Å; P145-R149 PolarHBondContact O-N 2.83Å; E146-R149 WeakPolarHBondContact O-CB 3.47Å; E146-R149 PolarHBondContact O-N 3.22Å; E146-R149 IonicContact OE1-CZ 2.74Å; E146-R149 IonicContact OE1-NE 3.25Å; E146-R149 IonicContact OE1-NH2 3.63Å; E146-R149 PolarHBondContact OE1-NH2 2.94Å; E146-R149 IonicContact OE2-CZ 3.55Å; E146-R149 IonicContact OE2-NE 3.97Å; E146-R149 PolarHBondContact OE2-NE 2.71Å; E146-R149 IonicContact OE2-NH2 2.86Å; R149-T151 VanDerWaalsContact C-N 3.26Å; R149-T151 PolarHBondContact O-N 2.61Å; R149-L152 PolarHBondContact O-N 2.86Å; R149-D153 PolarHBondContact O-N 3.06Å; R149-N159 PolarHBondContact NH1-OD1 2.98Å; R149-P160 WeakPolarHBondContact CD-O 3.49Å; R149-P160 HydrophobicContact CG-CG 4.05Å
150	K	97.7	Very high	94.8	Very high	95 Å²	95	27.1 Å²	27.1	41%	0.413	16%	0.159	S	C	.	.	H	α-helix	trans	-61.2	-35.9	177.3	-67.6	-180	-178.3	179.5	0	112.3	P129 E146 L147 L148 K154	P129-K150 HydrophobicContact CG-CB 4.16Å; E146-K150 WeakPolarHBondContact O-CG 3.37Å; E146-K150 PolarHBondContact O-N 2.73Å; E146-K150 WeakPolarHBondContact OE1-CE 3.25Å; E146-K150 IonicContact OE1-NZ 3.33Å; L147-K150 PolarHBondContact O-N 3.49Å; L148-K150 PolarHBondContact O-N 2.92Å; K150-K154 WeakPolarHBondContact O-CB 3.39Å; K150-K154 PolarHBondContact O-N 3.01Å
151	T	97.7	Very high	95	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69	-43.2	177.8	-56.3	0	0	0	0	111.4	A126 I128 P129 I136 A139 L147 L148 R149 D153 N155	A126-T151 HydrophobicContact CB-CG2 3.93Å; I128-T151 HydrophobicContact CG1-CG2 4Å; P129-T151 WeakPolarHBondContact CD-OG1 3.28Å; I136-T151 HydrophobicContact CD1-CG2 4.38Å; I136-T151 HydrophobicContact CG1-CG2 3.9Å; A139-T151 HydrophobicContact CB-CG2 4.23Å; A139-T151 WeakPolarHBondContact CB-OG1 3.46Å; L147-T151 WeakPolarHBondContact O-CB 3.39Å; L147-T151 PolarHBondContact O-N 3.38Å; L147-T151 PolarHBondContact O-OG1 2.92Å; L148-T151 WeakPolarHBondContact O-CB 3.41Å; L148-T151 PolarHBondContact O-N 3.33Å; L148-T151 VanDerWaalsContact O-N 3.16Å; R149-T151 VanDerWaalsContact C-N 3.26Å; R149-T151 PolarHBondContact O-N 2.61Å; T151-D153 VanDerWaalsContact C-N 3.34Å; T151-N155 WeakPolarHBondContact O-CB 3.45Å; T151-N155 PolarHBondContact O-N 2.86Å; T151-N155 PolarHBondContact O-ND2 3.02Å
152	L	97.8	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-43.7	174	-71.7	170.2	0	0	0	111.1	L86 I103 V120 I136 L148 R149 L156 G157 I158	L86-L152 HydrophobicContact CD1-CD1 3.56Å; L86-L152 HydrophobicContact CD2-CD1 4.17Å; L86-L152 HydrophobicContact CG-CD1 4.5Å; I103-L152 HydrophobicContact CG2-CD1 4.44Å; I103-L152 HydrophobicContact CG2-CD2 4.49Å; V120-L152 HydrophobicContact CG1-CD2 4.11Å; V120-L152 HydrophobicContact CG2-CD2 4.25Å; I136-L152 HydrophobicContact CD1-CD2 3.63Å; I136-L152 HydrophobicContact CD1-CG 4.41Å; L148-L152 HydrophobicContact CD1-CD1 4.36Å; L148-L152 HydrophobicContact CD1-CG 4.12Å; L148-L152 HydrophobicContact CG-CD1 4.14Å; L148-L152 HydrophobicContact CG-CG 4.39Å; L148-L152 VanDerWaalsContact O-CG 3.32Å; L148-L152 WeakPolarHBondContact O-CG 3.32Å; L148-L152 PolarHBondContact O-N 3.41Å; R149-L152 PolarHBondContact O-N 2.86Å; L152-L156 HydrophobicContact CD2-CD1 3.91Å; L152-L156 CarbonylContact O-C 3.56Å; L152-L156 WeakPolarHBondContact O-CA 3.24Å; L152-L156 VanDerWaalsContact O-CB 3.3Å; L152-L156 WeakPolarHBondContact O-CB 3.32Å; L152-L156 PolarHBondContact O-N 3.01Å; L152-G157 PolarHBondContact O-N 3.16Å; L152-I158 CarbonylContact C-O 3.46Å; L152-I158 HydrophobicContact CB-CB 4.28Å; L152-I158 WeakPolarHBondContact CB-O 3.26Å; L152-I158 PolarHBondContact O-N 3.11Å
153	D	97.3	Very high	95.5	Very high	61 Å²	61	24.8 Å²	24.8	33%	0.326	14%	0.138	S	C	.	.	H	α-helix	trans	-62.9	-53.2	178.9	-171.1	17.9	0	0	0	111.2	R149 T151 N155 G157 I158 N159	R149-D153 PolarHBondContact O-N 3.06Å; T151-D153 VanDerWaalsContact C-N 3.34Å; D153-N155 VanDerWaalsContact C-N 3.34Å; D153-N155 PolarHBondContact O-N 3.29Å; D153-G157 VanDerWaalsContact O-CA 3.24Å; D153-G157 WeakPolarHBondContact O-CA 3.35Å; D153-G157 PolarHBondContact O-N 3.35Å; D153-I158 WeakPolarHBondContact CA-O 3.46Å; D153-I158 PolarHBondContact N-O 2.92Å; D153-N159 HydrophobicContact CB-CB 4.12Å; D153-N159 PolarHBondContact OD2-ND2 3.41Å; D153-N159 VanDerWaalsContact OD2-ND2 3.1Å
154	K	97.1	Very high	95.6	Very high	92 Å²	92	23.4 Å²	23.4	40%	0.4	12%	0.123	S	C	.	.	H	α-helix	trans	-56.7	-45.4	179.9	-174.9	172.9	-179.2	-176.7	0	112.6	D127 P129 K150 K317	D127-K154 VanDerWaalsContact CG-CE 3.43Å; D127-K154 IonicContact OD1-NZ 3.11Å; D127-K154 PolarHBondContact OD1-NZ 2.92Å; D127-K154 WeakPolarHBondContact OD2-CE 3.17Å; D127-K154 IonicContact OD2-NZ 3.12Å; D127-K154 PolarHBondContact OD2-NZ 3.45Å; P129-K154 HydrophobicContact CG-CD 4.22Å; K150-K154 WeakPolarHBondContact O-CB 3.39Å; K150-K154 PolarHBondContact O-N 3.01Å; K154-K317 PolarHBondContact O-NZ 2.61Å
155	N	97.6	Very high	95.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-92.9	-31.8	-169.9	-66	-80	0	0	0	113.9	A126 D127 T151 D153 K313 K317	A126-N155 HydrophobicContact CB-CB 4.31Å; D127-N155 PolarHBondContact N-ND2 2.92Å; D127-N155 PolarHBondContact N-OD1 3.45Å; D127-N155 PolarHBondContact O-ND2 3.12Å; T151-N155 WeakPolarHBondContact O-CB 3.45Å; T151-N155 PolarHBondContact O-N 2.86Å; T151-N155 PolarHBondContact O-ND2 3.02Å; D153-N155 VanDerWaalsContact C-N 3.34Å; D153-N155 PolarHBondContact O-N 3.29Å; N155-K313 PolarHBondContact OD1-NZ 3.02Å; N155-K317 VanDerWaalsContact C-CE 3.48Å; N155-K317 WeakPolarHBondContact O-CE 3.14Å
156	L	97.4	Very high	95.3	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-124.5	-6.5	-171.5	-61.4	175.4	0	0	0	113.4	V120 I124 I136 L152 I158 V291 I311 N316 I320	V120-L156 HydrophobicContact CG1-CD1 3.84Å; V120-L156 HydrophobicContact CG2-CD1 4.44Å; I124-L156 HydrophobicContact CD1-CD1 4.4Å; I136-L156 HydrophobicContact CD1-CD1 4.19Å; L152-L156 HydrophobicContact CD2-CD1 3.91Å; L152-L156 CarbonylContact O-C 3.56Å; L152-L156 WeakPolarHBondContact O-CA 3.24Å; L152-L156 VanDerWaalsContact O-CB 3.3Å; L152-L156 WeakPolarHBondContact O-CB 3.32Å; L152-L156 PolarHBondContact O-N 3.01Å; L156-I158 HydrophobicContact CB-CD1 3.85Å; L156-I158 HydrophobicContact CB-CG1 3.99Å; L156-I158 HydrophobicContact CD1-CD1 4.06Å; L156-I158 PolarHBondContact O-N 3.41Å; L156-V291 HydrophobicContact CD1-CG1 4Å; L156-V291 HydrophobicContact CD2-CG1 3.87Å; L156-I311 HydrophobicContact CD2-CD1 3.42Å; L156-I311 VanDerWaalsContact CD2-CD1 3.42Å; L156-N316 HydrophobicContact CD2-CB 4.32Å; L156-I320 HydrophobicContact CB-CD1 3.84Å; L156-I320 HydrophobicContact CD2-CD1 4.08Å; L156-I320 HydrophobicContact CG-CD1 4.41Å
157	G	95.5	Very high	94.7	Very high	43 Å²	43	25.1 Å²	25.1	44%	0.443	13%	0.132	S	C	.	.			trans	69.9	15.4	-175.4	0	0	0	0	0	113.1	L152 D153	L152-G157 PolarHBondContact O-N 3.16Å; D153-G157 VanDerWaalsContact O-CA 3.24Å; D153-G157 WeakPolarHBondContact O-CA 3.35Å; D153-G157 PolarHBondContact O-N 3.35Å
158	I	96	Very high	94.3	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.131	C	C	.	.			trans	-95.7	111.2	179.9	-57.3	165.9	0	0	0	108.8	V105 M118 V120 L152 D153 L156 P160 I320	V105-I158 HydrophobicContact CB-CG2 4.28Å; V105-I158 HydrophobicContact CG1-CG2 3.93Å; V105-I158 HydrophobicContact CG2-CG2 3.75Å; M118-I158 HydrophobicContact CE-CD1 3.83Å; M118-I158 HydrophobicContact CE-CG1 3.97Å; M118-I158 HydrophobicContact CE-CG2 4.07Å; V120-I158 HydrophobicContact CG2-CD1 4.29Å; L152-I158 CarbonylContact C-O 3.46Å; L152-I158 HydrophobicContact CB-CB 4.28Å; L152-I158 WeakPolarHBondContact CB-O 3.26Å; L152-I158 PolarHBondContact O-N 3.11Å; D153-I158 WeakPolarHBondContact CA-O 3.46Å; D153-I158 PolarHBondContact N-O 2.92Å; L156-I158 HydrophobicContact CB-CD1 3.85Å; L156-I158 HydrophobicContact CB-CG1 3.99Å; L156-I158 HydrophobicContact CD1-CD1 4.06Å; L156-I158 PolarHBondContact O-N 3.41Å; I158-P160 WeakPolarHBondContact O-CD 3.24Å; I158-I320 HydrophobicContact CD1-CD1 3.8Å; I158-I320 HydrophobicContact CD1-CG1 4.34Å; I158-I320 HydrophobicContact CD1-CG2 4.18Å; I158-I320 HydrophobicContact CG1-CD1 4.15Å; I158-I320 HydrophobicContact CG1-CG2 3.61Å
159	N	95.7	Very high	93.7	Very high	33 Å²	33	28 Å²	28	18%	0.176	15%	0.149	C	C	.	.			trans	-122.7	84.8	-179.2	-165.2	-5	0	0	0	111.4	P76 K78 R149 D153	P76-N159 WeakPolarHBondContact CD-OD1 3.34Å; P76-N159 HydrophobicContact CG-CB 4.42Å; K78-N159 WeakPolarHBondContact CE-O 3.44Å; K78-N159 PolarHBondContact NZ-O 2.67Å; R149-N159 PolarHBondContact NH1-OD1 2.98Å; D153-N159 HydrophobicContact CB-CB 4.12Å; D153-N159 PolarHBondContact OD2-ND2 3.41Å; D153-N159 VanDerWaalsContact OD2-ND2 3.1Å
160	P	96	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.			trans	-73.2	146.8	-178.5	25.1	-30.4	0	0	0	112.9	F73 S84 L86 R149 I158	F73-P160 HydrophobicContact CZ-CG 4.43Å; S84-P160 WeakPolarHBondContact OG-CA 3.4Å; L86-P160 HydrophobicContact CB-CB 4.12Å; L86-P160 HydrophobicContact CB-CG 3.75Å; R149-P160 WeakPolarHBondContact CD-O 3.49Å; R149-P160 HydrophobicContact CG-CG 4.05Å; I158-P160 WeakPolarHBondContact O-CD 3.24Å
161	E	95.1	Very high	92.5	Very high	20 Å²	20	24.2 Å²	24.2	9%	0.093	13%	0.133	C	C	.	.	S	Bend	trans	-81.9	-33.9	-177	-50.8	-173.7	176.5	0	0	112.3	F73 P76 K78 S84	F73-E161 WeakPolarHBondContact CE1-O 3.45Å; P76-E161 VanDerWaalsContact O-CG 3.24Å; P76-E161 WeakPolarHBondContact O-CG 2.91Å; K78-E161 WeakPolarHBondContact CB-OE1 3.4Å; S84-E161 PolarHBondContact O-N 2.78Å; S84-E161 PolarHBondContact OG-N 2.91Å
162	Y	95	Very high	92.2	Very high	60 Å²	60	26.3 Å²	26.3	24%	0.235	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	168.4	-178.7	-55.5	-83.1	0	0	0	111.5	I83 S84 I85 L86 N265 I266	I83-Y162 HydrophobicContact CD1-CD2 3.55Å; I83-Y162 HydrophobicContact CD1-CE2 3.53Å; I83-Y162 HydrophobicContact CG1-CD2 3.59Å; I83-Y162 HydrophobicContact CG1-CE2 3.69Å; S84-Y162 PolarHBondContact O-N 2.98Å; S84-Y162 VanDerWaalsContact O-N 3.11Å; I85-Y162 CarbonylContact C-O 3.56Å; I85-Y162 WeakPolarHBondContact CA-O 3.42Å; L86-Y162 PolarHBondContact N-O 3.14Å; Y162-N265 VanDerWaalsContact CA-OD1 3.25Å; Y162-N265 WeakPolarHBondContact CA-OD1 3.3Å; Y162-N265 WeakPolarHBondContact CB-OD1 3.41Å; Y162-I266 VanDerWaalsContact CB-CG1 3.44Å; Y162-I266 HydrophobicContact CD1-CB 4.33Å; Y162-I266 HydrophobicContact CD1-CG1 3.99Å; Y162-I266 HydrophobicContact CG-CG1 3.75Å
163	Y	94.7	Very high	91.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.4	169.8	78.6	-85.9	0	0	0	111.5	H71 F73 L86 P145 V165 N263 T264 N265	H71-Y163 PolarHBondContact N-OH 2.78Å; H71-Y163 PolarHBondContact O-OH 3.37Å; F73-Y163 HydrophobicContact CB-CD1 3.52Å; F73-Y163 HydrophobicContact CB-CE1 3.56Å; F73-Y163 AromaticContact CD1-CD1 3.94Å; F73-Y163 HydrophobicContact CD1-CD1 3.94Å; F73-Y163 AromaticContact CD2-CD1 3.48Å; F73-Y163 HydrophobicContact CD2-CD1 3.48Å; F73-Y163 VanDerWaalsContact CD2-CD1 3.48Å; F73-Y163 HydrophobicContact CD2-CE1 4.23Å; F73-Y163 HydrophobicContact CD2-CG 4.08Å; F73-Y163 HydrophobicContact CE1-CD1 4.46Å; F73-Y163 HydrophobicContact CE2-CD1 4.04Å; F73-Y163 HydrophobicContact CE2-CG 4.23Å; F73-Y163 AromaticContact CG-CD1 3.38Å; F73-Y163 HydrophobicContact CG-CD1 3.38Å; F73-Y163 AromaticContact CG-CE1 3.99Å; F73-Y163 HydrophobicContact CG-CE1 3.99Å; F73-Y163 HydrophobicContact CG-CG 4.35Å; F73-Y163 HydrophobicContact CZ-CD1 4.48Å; L86-Y163 CarbonylContact O-C 3.57Å; L86-Y163 WeakPolarHBondContact O-CA 3.49Å; P145-Y163 HydrophobicContact CB-CD1 4.14Å; P145-Y163 HydrophobicContact CB-CD2 3.97Å; P145-Y163 HydrophobicContact CB-CE2 4.39Å; P145-Y163 HydrophobicContact CB-CG 3.84Å; P145-Y163 HydrophobicContact CG-CD2 3.84Å; P145-Y163 HydrophobicContact CG-CE2 3.9Å; P145-Y163 HydrophobicContact CG-CG 4.22Å; Y163-V165 HydrophobicContact CD2-CG2 3.74Å; Y163-V165 HydrophobicContact CE2-CG2 3.85Å; Y163-N263 HydrophobicContact CE2-CB 4.31Å; Y163-N263 WeakPolarHBondContact CE2-O 3.43Å; Y163-N263 WeakPolarHBondContact CE2-OD1 3.4Å; Y163-N263 PolarHBondContact OH-OD1 2.96Å; Y163-T264 WeakPolarHBondContact O-CA 3.38Å; Y163-T264 VanDerWaalsContact O-CB 3.24Å; Y163-T264 WeakPolarHBondContact O-CB 3.29Å; Y163-T264 PolarHBondContact O-OG1 3.29Å; Y163-N265 HydrophobicContact CD1-CB 4.15Å; Y163-N265 VanDerWaalsContact CD1-OD1 3.27Å; Y163-N265 WeakPolarHBondContact CD1-OD1 3.4Å; Y163-N265 HydrophobicContact CE1-CB 3.75Å; Y163-N265 PolarHBondContact N-OD1 3.38Å
164	A	91.1	Very high	91.2	Very high	12 Å²	12	27.9 Å²	27.9	10%	0.099	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	110.5	169.1	0	0	0	0	0	108.6	I85 L86 V87 L88 V262 N263	I85-A164 HydrophobicContact CG2-CB 4.26Å; L86-A164 PolarHBondContact O-N 3.31Å; V87-A164 CarbonylContact C-O 3.55Å; V87-A164 WeakPolarHBondContact CA-O 3.47Å; L88-A164 PolarHBondContact N-O 3.37Å; A164-V262 HydrophobicContact CB-CG1 3.83Å; A164-N263 CarbonylContact C-O 3.56Å; A164-N263 WeakPolarHBondContact CA-O 3.2Å
165	V	89.4	Confident	90.9	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.055	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.5	170.2	-167.6	0	0	0	0	108.5	L88 A90 Y140 P145 Y163 V262 N263	L88-V165 HydrophobicContact CB-CB 4.47Å; L88-V165 HydrophobicContact CB-CG1 4.27Å; L88-V165 HydrophobicContact CB-CG2 4.26Å; L88-V165 HydrophobicContact CD1-CG2 4.13Å; L88-V165 CarbonylContact O-C 3.47Å; L88-V165 WeakPolarHBondContact O-CA 3.3Å; A90-V165 HydrophobicContact CB-CG1 3.54Å; Y140-V165 HydrophobicContact CE2-CG2 4.11Å; P145-V165 HydrophobicContact CG-CG2 4.08Å; Y163-V165 HydrophobicContact CD2-CG2 3.74Å; Y163-V165 HydrophobicContact CE2-CG2 3.85Å; V165-V262 WeakPolarHBondContact O-CA 3.32Å; V165-N263 HydrophobicContact CB-CB 3.97Å; V165-N263 HydrophobicContact CG2-CB 4.34Å; V165-N263 PolarHBondContact N-O 2.8Å; V165-N263 PolarHBondContact O-N 3Å
166	V	86.6	Confident	90.6	Very high	30 Å²	30	26.1 Å²	26.1	18%	0.182	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.2	176.5	-172.2	0	0	0	0	108.3	V87 L88 A90 F171 V262	V87-V166 HydrophobicContact CG1-CG2 4.44Å; L88-V166 PolarHBondContact O-N 3.12Å; A90-V166 PolarHBondContact N-O 3.03Å; A90-V166 VanDerWaalsContact N-O 3.14Å; V166-F171 HydrophobicContact CG1-CB 4.09Å; V166-V262 HydrophobicContact CG2-CG2 4.17Å
167	D	84	Confident	90.2	Very high	27 Å²	27	28.1 Å²	28.1	14%	0.144	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.8	169.4	-175.8	85.8	0	0	0	110.3	T169 G170 F171 Y261	D167-T169 VanDerWaalsContact C-N 3.32Å; D167-T169 PolarHBondContact O-N 3.44Å; D167-T169 WeakPolarHBondContact OD2-CA 3.47Å; D167-T169 WeakPolarHBondContact OD2-CB 3.49Å; D167-T169 PolarHBondContact OD2-N 3.35Å; D167-T169 PolarHBondContact OD2-OG1 3.48Å; D167-G170 WeakPolarHBondContact O-CA 3.4Å; D167-G170 PolarHBondContact O-N 3.45Å; D167-F171 PolarHBondContact O-N 3Å; D167-Y261 PolarHBondContact N-O 2.69Å
168	F	85.5	Confident	89.7	Confident	18 Å²	18	26.7 Å²	26.7	8%	0.079	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-41.1	178.6	-72.7	-13.4	0	0	0	113.7	D91 D101 G170 F171 E172 L212 R216	D91-F168 HydrophobicContact CB-CD2 3.75Å; D91-F168 HydrophobicContact CB-CE2 3.45Å; D91-F168 VanDerWaalsContact CB-CE2 3.45Å; D91-F168 HydrophobicContact CB-CZ 4.35Å; D91-F168 WeakPolarHBondContact OD2-CE2 3.45Å; D101-F168 HydrophobicContact CB-CZ 3.99Å; F168-G170 PolarHBondContact O-N 2.88Å; F168-F171 PolarHBondContact O-N 3.1Å; F168-E172 VanDerWaalsContact O-CG 3.28Å; F168-E172 WeakPolarHBondContact O-CG 3.36Å; F168-E172 PolarHBondContact O-N 2.93Å; F168-L212 HydrophobicContact CB-CD2 3.52Å; F168-L212 HydrophobicContact CD1-CD1 3.8Å; F168-L212 HydrophobicContact CD1-CD2 4.01Å; F168-L212 HydrophobicContact CD2-CD2 4.18Å; F168-L212 HydrophobicContact CE1-CD1 4.06Å; F168-L212 HydrophobicContact CG-CD1 4.29Å; F168-L212 HydrophobicContact CG-CD2 3.64Å; F168-R216 VanDerWaalsContact CE2-NH2 3.29Å
169	T	83.4	Confident	89.4	Confident	62 Å²	62	27.1 Å²	27.1	38%	0.38	14%	0.136	S	C	.	.	H	α-helix	trans	-60	-42.3	174.3	-42.6	0	0	0	0	110.3	D167 E172 K173 Y261	D167-T169 VanDerWaalsContact C-N 3.32Å; D167-T169 PolarHBondContact O-N 3.44Å; D167-T169 WeakPolarHBondContact OD2-CA 3.47Å; D167-T169 WeakPolarHBondContact OD2-CB 3.49Å; D167-T169 PolarHBondContact OD2-N 3.35Å; D167-T169 PolarHBondContact OD2-OG1 3.48Å; T169-E172 PolarHBondContact O-N 3.33Å; T169-K173 HydrophobicContact CG2-CG 4.39Å; T169-K173 WeakPolarHBondContact O-CB 3.47Å; T169-K173 VanDerWaalsContact O-CG 3.31Å; T169-K173 WeakPolarHBondContact O-CG 3.33Å; T169-K173 PolarHBondContact O-N 3.23Å; T169-Y261 HydrophobicContact CG2-CE1 4.14Å
170	G	82.7	Confident	89.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-44.8	176.9	0	0	0	0	0	113.2	D167 F168 M174 Y261	D167-G170 WeakPolarHBondContact O-CA 3.4Å; D167-G170 PolarHBondContact O-N 3.45Å; F168-G170 PolarHBondContact O-N 2.88Å; G170-M174 VanDerWaalsContact O-CB 3.26Å; G170-M174 WeakPolarHBondContact O-CB 3.29Å; G170-M174 PolarHBondContact O-N 2.98Å; G170-Y261 VanDerWaalsContact CA-CD1 3.44Å
171	F	88.2	Confident	88.9	Confident	35 Å²	35	36.8 Å²	36.8	15%	0.154	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-52.2	174.2	178.4	-90.8	0	0	0	111	V166 D167 F168 K173 M174 I175 L211 L212 V234	V166-F171 HydrophobicContact CG1-CB 4.09Å; D167-F171 PolarHBondContact O-N 3Å; F168-F171 PolarHBondContact O-N 3.1Å; F171-K173 PolarHBondContact O-N 3.2Å; F171-M174 HydrophobicContact CD2-CE 4Å; F171-M174 HydrophobicContact CE2-CE 4.37Å; F171-M174 PolarHBondContact O-N 3.42Å; F171-I175 HydrophobicContact CD1-CG1 4.23Å; F171-I175 HydrophobicContact CD2-CG1 4.49Å; F171-I175 HydrophobicContact CE1-CG1 3.86Å; F171-I175 HydrophobicContact CE2-CD1 4.28Å; F171-I175 HydrophobicContact CE2-CG1 4.14Å; F171-I175 HydrophobicContact CZ-CD1 4.21Å; F171-I175 HydrophobicContact CZ-CG1 3.82Å; F171-I175 VanDerWaalsContact O-CG1 3.31Å; F171-I175 WeakPolarHBondContact O-CG1 3.4Å; F171-I175 PolarHBondContact O-N 3.08Å; F171-L211 HydrophobicContact CE1-CB 4.46Å; F171-L211 HydrophobicContact CE1-CD2 4.32Å; F171-L211 HydrophobicContact CE1-CG 4.46Å; F171-L211 HydrophobicContact CZ-CD2 4Å; F171-L211 HydrophobicContact CZ-CG 4.36Å; F171-L212 HydrophobicContact CD1-CB 3.86Å; F171-L212 HydrophobicContact CD1-CD1 3.97Å; F171-L212 HydrophobicContact CD1-CG 4.37Å; F171-L212 HydrophobicContact CE1-CB 3.9Å; F171-L212 HydrophobicContact CE1-CD1 4.32Å; F171-V234 HydrophobicContact CZ-CG1 4.35Å
172	E	90.6	Very high	88.9	Confident	45 Å²	45	35.9 Å²	35.9	21%	0.21	18%	0.184	C	C	.	.	H	α-helix	trans	-55.2	-51.5	-179.8	-67.1	177	-179	0	0	111.6	F168 T169 M174 I175 D176 K209 L212	F168-E172 VanDerWaalsContact O-CG 3.28Å; F168-E172 WeakPolarHBondContact O-CG 3.36Å; F168-E172 PolarHBondContact O-N 2.93Å; T169-E172 PolarHBondContact O-N 3.33Å; E172-M174 PolarHBondContact O-N 3.11Å; E172-I175 PolarHBondContact O-N 3.25Å; E172-D176 PolarHBondContact O-N 2.85Å; E172-K209 HydrophobicContact CG-CB 4.33Å; E172-L212 HydrophobicContact CG-CB 4.34Å; E172-L212 HydrophobicContact CG-CD2 3.97Å; E172-L212 WeakPolarHBondContact OE1-CD2 3.19Å
173	K	86.7	Confident	88.9	Confident	66 Å²	66	33 Å²	33	29%	0.287	17%	0.173	S	C	.	.	H	α-helix	trans	-65.1	-38	-179.3	-65.2	-47.3	-173.5	-173.2	0	113.4	Y60 T169 F171 I175 E177	Y60-K173 HydrophobicContact CE1-CB 4.14Å; Y60-K173 HydrophobicContact CE1-CG 4.14Å; Y60-K173 WeakPolarHBondContact OH-CD 3.34Å; T169-K173 HydrophobicContact CG2-CG 4.39Å; T169-K173 WeakPolarHBondContact O-CB 3.47Å; T169-K173 VanDerWaalsContact O-CG 3.31Å; T169-K173 WeakPolarHBondContact O-CG 3.33Å; T169-K173 PolarHBondContact O-N 3.23Å; F171-K173 PolarHBondContact O-N 3.2Å; K173-I175 VanDerWaalsContact C-N 3.33Å; K173-E177 WeakPolarHBondContact O-CB 3.43Å; K173-E177 PolarHBondContact O-N 3.49Å
174	M	87.5	Confident	89	Confident	27 Å²	27	35.1 Å²	35.1	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-46.8	174.7	167.6	-176.6	68.5	0	0	110.8	G170 F171 E172 E177 L178 V254 L258	G170-M174 VanDerWaalsContact O-CB 3.26Å; G170-M174 WeakPolarHBondContact O-CB 3.29Å; G170-M174 PolarHBondContact O-N 2.98Å; F171-M174 HydrophobicContact CD2-CE 4Å; F171-M174 HydrophobicContact CE2-CE 4.37Å; F171-M174 PolarHBondContact O-N 3.42Å; E172-M174 PolarHBondContact O-N 3.11Å; M174-E177 PolarHBondContact O-N 3.44Å; M174-L178 HydrophobicContact CG-CD1 3.68Å; M174-L178 HydrophobicContact CG-CG 4.29Å; M174-L178 WeakPolarHBondContact O-CB 3.02Å; M174-L178 WeakPolarHBondContact O-CG 3.39Å; M174-L178 PolarHBondContact O-N 2.77Å; M174-L178 HydrophobicContact SD-CD1 4.18Å; M174-V254 HydrophobicContact CG-CG1 3.75Å; M174-V254 HydrophobicContact SD-CG1 4.13Å; M174-L258 HydrophobicContact CB-CD2 4.43Å; M174-L258 HydrophobicContact CG-CD2 4.39Å; M174-L258 HydrophobicContact SD-CD1 4.01Å; M174-L258 HydrophobicContact SD-CD2 3.5Å; M174-L258 VanDerWaalsContact SD-CD2 3.5Å; M174-L258 HydrophobicContact SD-CG 3.99Å
175	I	90.9	Very high	89.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65	-43.8	-178.2	-65	-55.1	0	0	0	110.7	F171 E172 K173 E177 L178 M179 V183 L211 L238	F171-I175 HydrophobicContact CD1-CG1 4.23Å; F171-I175 HydrophobicContact CD2-CG1 4.49Å; F171-I175 HydrophobicContact CE1-CG1 3.86Å; F171-I175 HydrophobicContact CE2-CD1 4.28Å; F171-I175 HydrophobicContact CE2-CG1 4.14Å; F171-I175 HydrophobicContact CZ-CD1 4.21Å; F171-I175 HydrophobicContact CZ-CG1 3.82Å; F171-I175 VanDerWaalsContact O-CG1 3.31Å; F171-I175 WeakPolarHBondContact O-CG1 3.4Å; F171-I175 PolarHBondContact O-N 3.08Å; E172-I175 PolarHBondContact O-N 3.25Å; K173-I175 VanDerWaalsContact C-N 3.33Å; I175-E177 VanDerWaalsContact C-N 3.26Å; I175-E177 PolarHBondContact O-N 2.88Å; I175-L178 PolarHBondContact O-N 3Å; I175-M179 CarbonylContact O-C 3.56Å; I175-M179 WeakPolarHBondContact O-CA 3.32Å; I175-M179 PolarHBondContact O-N 2.95Å; I175-V183 HydrophobicContact CG2-CG2 3.57Å; I175-L211 HydrophobicContact CD1-CD2 4.12Å; I175-L211 HydrophobicContact CG1-CD2 4.04Å; I175-L211 HydrophobicContact CG2-CD2 3.88Å; I175-L238 HydrophobicContact CD1-CD1 3.76Å; I175-L238 HydrophobicContact CD1-CD2 3.59Å; I175-L238 HydrophobicContact CD1-CG 4.35Å
176	D	91.5	Very high	89.6	Confident	57 Å²	57	38.5 Å²	38.5	31%	0.305	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-35.4	176.8	-67.7	-18.1	0	0	0	112	E172 M179 P180 G208	E172-D176 PolarHBondContact O-N 2.85Å; D176-M179 CarbonylContact O-C 3.55Å; D176-P180 VanDerWaalsContact O-CA 3.26Å; D176-P180 WeakPolarHBondContact O-CA 3.43Å; D176-P180 WeakPolarHBondContact O-CD 3.16Å; D176-P180 WeakPolarHBondContact O-CG 3.18Å; D176-G208 PolarHBondContact OD1-N 2.86Å
177	E	87.5	Confident	90	Very high	43 Å²	43	37.1 Å²	37.1	20%	0.201	19%	0.194	C	C	.	.	H	α-helix	trans	-72.6	-49.6	176.6	-175.6	64.2	-146.1	0	0	112	K173 M174 I175 M179 K250 K253 V254 I257	K173-E177 WeakPolarHBondContact O-CB 3.43Å; K173-E177 PolarHBondContact O-N 3.49Å; M174-E177 PolarHBondContact O-N 3.44Å; I175-E177 VanDerWaalsContact C-N 3.26Å; I175-E177 PolarHBondContact O-N 2.88Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-M179 PolarHBondContact O-N 3.15Å; E177-K250 WeakPolarHBondContact O-CD 3.26Å; E177-K250 PolarHBondContact O-NZ 2.7Å; E177-K253 VanDerWaalsContact CD-CE 3.42Å; E177-K253 HydrophobicContact CG-CD 4.33Å; E177-K253 HydrophobicContact CG-CG 4.41Å; E177-K253 VanDerWaalsContact OE1-CD 3.29Å; E177-K253 WeakPolarHBondContact OE1-CD 3.38Å; E177-K253 WeakPolarHBondContact OE1-CE 3.27Å; E177-K253 IonicContact OE1-NZ 2.8Å; E177-K253 PolarHBondContact OE1-NZ 2.88Å; E177-K253 VanDerWaalsContact OE2-CE 3.27Å; E177-K253 WeakPolarHBondContact OE2-CE 3.29Å; E177-K253 IonicContact OE2-NZ 2.76Å; E177-K253 PolarHBondContact OE2-NZ 2.72Å; E177-V254 HydrophobicContact CB-CG2 4.28Å; E177-V254 HydrophobicContact CG-CG2 3.9Å; E177-I257 HydrophobicContact CB-CD1 3.86Å; E177-I257 HydrophobicContact CG-CD1 3.83Å
178	L	86	Confident	90.4	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.068	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-46.4	178.4	-78.7	170.6	0	0	0	110.5	M174 I175 T247 L251 V254	M174-L178 HydrophobicContact CG-CD1 3.68Å; M174-L178 HydrophobicContact CG-CG 4.29Å; M174-L178 WeakPolarHBondContact O-CB 3.02Å; M174-L178 WeakPolarHBondContact O-CG 3.39Å; M174-L178 PolarHBondContact O-N 2.77Å; M174-L178 HydrophobicContact SD-CD1 4.18Å; I175-L178 PolarHBondContact O-N 3Å; L178-T247 HydrophobicContact CB-CG2 4.5Å; L178-T247 HydrophobicContact CD2-CG2 3.69Å; L178-L251 HydrophobicContact CD2-CD2 4.05Å; L178-V254 HydrophobicContact CD1-CG1 4.18Å; L178-V254 HydrophobicContact CD2-CB 4.18Å; L178-V254 HydrophobicContact CD2-CG1 4.12Å; L178-V254 HydrophobicContact CD2-CG2 3.55Å; L178-V254 HydrophobicContact CG-CB 4.37Å; L178-V254 HydrophobicContact CG-CG1 4.06Å; L178-V254 HydrophobicContact CG-CG2 3.58Å
179	M	89.1	Confident	90.7	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.059	21%	0.207	C	C	.	.			trans	-135.1	75	-169.6	-60.2	-168.6	70.5	0	0	111.5	I175 D176 E177 E181 G182 V183 L238 E241	I175-M179 CarbonylContact O-C 3.56Å; I175-M179 WeakPolarHBondContact O-CA 3.32Å; I175-M179 PolarHBondContact O-N 2.95Å; D176-M179 CarbonylContact O-C 3.55Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-M179 PolarHBondContact O-N 3.15Å; M179-E181 PolarHBondContact O-N 3.16Å; M179-E181 VanDerWaalsContact O-N 3.15Å; M179-G182 WeakPolarHBondContact CE-O 3.38Å; M179-G182 WeakPolarHBondContact O-CA 3.27Å; M179-G182 PolarHBondContact O-N 3.32Å; M179-V183 HydrophobicContact CB-CG2 4.2Å; M179-V183 HydrophobicContact CE-CG2 4.35Å; M179-V183 HydrophobicContact CG-CG2 4.44Å; M179-V183 HydrophobicContact SD-CB 4.26Å; M179-V183 HydrophobicContact SD-CG1 4.27Å; M179-V183 HydrophobicContact SD-CG2 3.6Å; M179-L238 HydrophobicContact SD-CD2 4.24Å; M179-E241 HydrophobicContact CE-CB 3.71Å; M179-E241 HydrophobicContact CE-CG 3.41Å; M179-E241 VanDerWaalsContact CE-CG 3.41Å; M179-E241 VanDerWaalsContact CE-OE2 3.27Å; M179-E241 WeakPolarHBondContact CE-OE2 3.25Å; M179-E241 HydrophobicContact SD-CB 3.57Å; M179-E241 VanDerWaalsContact SD-CB 3.57Å; M179-E241 HydrophobicContact SD-CG 3.79Å
180	P	89.8	Confident	91.2	Very high	81 Å²	81	41.4 Å²	41.4	53%	0.526	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.6	179.6	-24	33.1	0	0	0	113.4	D176 G182	D176-P180 VanDerWaalsContact O-CA 3.26Å; D176-P180 WeakPolarHBondContact O-CA 3.43Å; D176-P180 WeakPolarHBondContact O-CD 3.16Å; D176-P180 WeakPolarHBondContact O-CG 3.18Å; P180-G182 PolarHBondContact O-N 3.41Å
181	E	91.8	Very high	91.6	Very high	155 Å²	155	41.5 Å²	41.5	72%	0.724	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	5.6	175.8	-53.8	-55.2	142.1	0	0	113	M179 R205	M179-E181 PolarHBondContact O-N 3.16Å; M179-E181 VanDerWaalsContact O-N 3.15Å; E181-R205 WeakPolarHBondContact O-CB 3.31Å; E181-R205 VanDerWaalsContact O-CD 3.27Å; E181-R205 WeakPolarHBondContact O-CD 3.34Å; E181-R205 PolarHBondContact O-NE 3.39Å
182	G	94.3	Very high	91.7	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.021	23%	0.229	C	C	.	.			trans	77.4	169.1	-175.3	0	0	0	0	0	114.4	M179 P180 R205 L206	M179-G182 WeakPolarHBondContact CE-O 3.38Å; M179-G182 WeakPolarHBondContact O-CA 3.27Å; M179-G182 PolarHBondContact O-N 3.32Å; P180-G182 PolarHBondContact O-N 3.41Å; G182-R205 VanDerWaalsContact O-CZ 3.3Å; G182-R205 PolarHBondContact O-NE 2.77Å; G182-R205 PolarHBondContact O-NH2 2.65Å; G182-L206 CarbonylContact C-O 3.55Å; G182-L206 VanDerWaalsContact CA-O 3.26Å; G182-L206 WeakPolarHBondContact CA-O 3.25Å
183	V	95.6	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.6	-175.9	-174.4	0	0	0	0	110.2	I175 M179 I185 R205 L206 L211 T237 L238	I175-V183 HydrophobicContact CG2-CG2 3.57Å; M179-V183 HydrophobicContact CB-CG2 4.2Å; M179-V183 HydrophobicContact CE-CG2 4.35Å; M179-V183 HydrophobicContact CG-CG2 4.44Å; M179-V183 HydrophobicContact SD-CB 4.26Å; M179-V183 HydrophobicContact SD-CG1 4.27Å; M179-V183 HydrophobicContact SD-CG2 3.6Å; V183-I185 HydrophobicContact CG1-CD1 4.49Å; V183-I185 HydrophobicContact CG1-CG1 4.39Å; V183-I185 PolarHBondContact O-N 2.98Å; V183-I185 VanDerWaalsContact O-N 3.15Å; V183-R205 CarbonylContact O-C 3.58Å; V183-R205 WeakPolarHBondContact O-CA 3.39Å; V183-L206 PolarHBondContact N-O 2.87Å; V183-L206 PolarHBondContact O-N 3.13Å; V183-L211 HydrophobicContact CB-CD1 4.08Å; V183-L211 HydrophobicContact CB-CD2 4.01Å; V183-L211 HydrophobicContact CG1-CD1 4.16Å; V183-L211 HydrophobicContact CG1-CD2 4.22Å; V183-L211 HydrophobicContact CG2-CD2 3.64Å; V183-T237 HydrophobicContact CG1-CG2 3.54Å; V183-L238 HydrophobicContact CG1-CD2 4.07Å; V183-L238 HydrophobicContact CG2-CD2 3.99Å
184	P	96	Very high	91.2	Very high	44 Å²	44	50.1 Å²	50.1	29%	0.286	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	111.9	-176.8	28.5	-33.3	0	0	0	111.3	H204 T237 E241	P184-H204 CarbonylContact C-O 3.5Å; P184-H204 WeakPolarHBondContact CA-O 3.22Å; P184-T237 HydrophobicContact CG-CG2 4.01Å; P184-T237 VanDerWaalsContact O-CG2 3.3Å; P184-T237 WeakPolarHBondContact O-CG2 3.39Å; P184-E241 HydrophobicContact CG-CG 4.45Å; P184-E241 WeakPolarHBondContact CG-OE1 3.47Å
185	I	97.2	Very high	91.1	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.3	178.7	-64.7	-65.8	0	0	0	109.1	V183 V187 H204 L206 L211 Y214 V234 T237	V183-I185 HydrophobicContact CG1-CD1 4.49Å; V183-I185 HydrophobicContact CG1-CG1 4.39Å; V183-I185 PolarHBondContact O-N 2.98Å; V183-I185 VanDerWaalsContact O-N 3.15Å; I185-V187 HydrophobicContact CG2-CG2 4.05Å; I185-V187 PolarHBondContact O-N 2.82Å; I185-H204 PolarHBondContact N-O 2.9Å; I185-H204 PolarHBondContact O-N 2.8Å; I185-L206 HydrophobicContact CB-CD1 3.83Å; I185-L206 HydrophobicContact CB-CG 4.12Å; I185-L206 HydrophobicContact CG1-CD1 4.05Å; I185-L206 HydrophobicContact CG1-CG 4.39Å; I185-L206 HydrophobicContact CG2-CD1 4Å; I185-L211 HydrophobicContact CD1-CD1 4.07Å; I185-L211 HydrophobicContact CG1-CD1 3.62Å; I185-Y214 HydrophobicContact CG2-CD1 4.08Å; I185-Y214 HydrophobicContact CG2-CD2 4.21Å; I185-Y214 HydrophobicContact CG2-CE1 3.77Å; I185-Y214 HydrophobicContact CG2-CE2 3.91Å; I185-Y214 HydrophobicContact CG2-CG 4.29Å; I185-V234 HydrophobicContact CD1-CG2 4.47Å; I185-T237 HydrophobicContact CD1-CG2 4.23Å
186	N	95.9	Very high	90.8	Very high	89 Å²	89	52.4 Å²	52.4	48%	0.476	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	103.4	163.6	-174.1	13.5	0	0	0	108.5	E188 G202 N203	N186-E188 PolarHBondContact O-N 2.74Å; N186-G202 CarbonylContact C-O 3.6Å; N186-G202 WeakPolarHBondContact CA-O 3.49Å; N186-G202 PolarHBondContact OD1-O 2.9Å; N186-N203 VanDerWaalsContact CB-OD1 3.22Å; N186-N203 WeakPolarHBondContact CB-OD1 3.45Å; N186-N203 PolarHBondContact OD1-OD1 3.36Å
187	V	95.1	Very high	90.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.4	175.8	179.3	0	0	0	0	107.9	I185 K189 M191 L199 K200 K201 G202 L206 Y214	I185-V187 HydrophobicContact CG2-CG2 4.05Å; I185-V187 PolarHBondContact O-N 2.82Å; V187-K189 VanDerWaalsContact C-N 3.27Å; V187-K189 WeakPolarHBondContact CG1-O 3.36Å; V187-K189 PolarHBondContact O-N 3.49Å; V187-M191 HydrophobicContact CG1-CE 4.18Å; V187-M191 HydrophobicContact CG1-SD 4.4Å; V187-L199 HydrophobicContact CG1-CB 4.16Å; V187-K200 VanDerWaalsContact CB-O 3.28Å; V187-K200 WeakPolarHBondContact CB-O 3.41Å; V187-K200 VanDerWaalsContact CG1-O 3.25Å; V187-K200 WeakPolarHBondContact CG1-O 3.23Å; V187-K201 CarbonylContact O-C 3.51Å; V187-K201 WeakPolarHBondContact O-CA 3.11Å; V187-G202 PolarHBondContact N-O 3.45Å; V187-G202 PolarHBondContact O-N 3.43Å; V187-L206 HydrophobicContact CG2-CD1 4.24Å; V187-L206 HydrophobicContact CG2-CD2 4.49Å; V187-Y214 HydrophobicContact CG1-CE2 4.45Å; V187-Y214 HydrophobicContact CG2-CD2 4.21Å; V187-Y214 HydrophobicContact CG2-CE2 4.31Å
188	E	92.2	Very high	91.2	Very high	51 Å²	51	52.7 Å²	52.7	24%	0.238	30%	0.301	C	S	.	.			trans	-70.1	-21.3	-170.4	59.5	-94.8	-141.1	0	0	114.4	N186 M191 K201 Y214 R229 R230	N186-E188 PolarHBondContact O-N 2.74Å; E188-M191 VanDerWaalsContact CD-CE 3.41Å; E188-M191 HydrophobicContact CG-CE 3.78Å; E188-K201 WeakPolarHBondContact O-CE 3.49Å; E188-Y214 VanDerWaalsContact OE2-CE2 3.24Å; E188-Y214 WeakPolarHBondContact OE2-CE2 3.39Å; E188-Y214 PolarHBondContact OE2-OH 2.88Å; E188-R229 IonicContact OE1-CZ 3.89Å; E188-R229 IonicContact OE1-NH1 3.22Å; E188-R229 IonicContact OE1-NH2 2.69Å; E188-R229 PolarHBondContact OE1-NH2 3.32Å; E188-R230 IonicContact OE1-CZ 3.95Å; E188-R230 IonicContact OE1-NE 2.73Å; E188-R230 PolarHBondContact OE1-NE 2.86Å; E188-R230 IonicContact OE1-NH2 3.13Å; E188-R230 PolarHBondContact OE1-NH2 2.93Å; E188-R230 IonicContact OE2-NE 3.53Å
189	K	92.1	Very high	91.6	Very high	63 Å²	63	52.3 Å²	52.3	27%	0.274	30%	0.299	S	S	.	.	S	Bend	trans	-162.2	166.8	-179.5	67.7	179.8	-165.5	151.8	0	111.5	V187 M191 F217 H219 D220	V187-K189 VanDerWaalsContact C-N 3.27Å; V187-K189 WeakPolarHBondContact CG1-O 3.36Å; V187-K189 PolarHBondContact O-N 3.49Å; K189-M191 HydrophobicContact CG-CE 3.81Å; K189-M191 HydrophobicContact CG-CG 4.23Å; K189-M191 WeakPolarHBondContact O-CG 3.49Å; K189-M191 PolarHBondContact O-N 3.06Å; K189-F217 VanDerWaalsContact CE-CE1 3.48Å; K189-H219 PolarHBondContact NZ-O 3.11Å; K189-D220 VanDerWaalsContact CE-CB 3.43Å
190	D	93.5	Very high	91.9	Very high	84 Å²	84	57.3 Å²	57.3	45%	0.449	32%	0.321	S	S	.	.			trans	-61.7	132.7	172.6	-75.3	15.4	0	0	0	111.5	L199 K200 K201	D190-L199 WeakPolarHBondContact CA-O 3.16Å; D190-K200 WeakPolarHBondContact OD1-CA 3.34Å; D190-K200 WeakPolarHBondContact OD1-CD 3.24Å; D190-K200 WeakPolarHBondContact OD2-CD 3.48Å; D190-K200 IonicContact OD2-NZ 3.02Å; D190-K200 PolarHBondContact OD2-NZ 2.91Å; D190-K201 PolarHBondContact OD1-N 3.33Å
191	M	92.1	Very high	92.2	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-139	117.3	-177.3	-58.5	177.5	-166.8	0	0	109.7	V187 E188 K189 I195 L199 Y214 F217	V187-M191 HydrophobicContact CG1-CE 4.18Å; V187-M191 HydrophobicContact CG1-SD 4.4Å; E188-M191 VanDerWaalsContact CD-CE 3.41Å; E188-M191 HydrophobicContact CG-CE 3.78Å; K189-M191 HydrophobicContact CG-CE 3.81Å; K189-M191 HydrophobicContact CG-CG 4.23Å; K189-M191 WeakPolarHBondContact O-CG 3.49Å; K189-M191 PolarHBondContact O-N 3.06Å; M191-I195 HydrophobicContact CB-CD1 3.93Å; M191-L199 HydrophobicContact CB-CB 4.31Å; M191-L199 PolarHBondContact N-O 2.6Å; M191-L199 PolarHBondContact O-N 3.01Å; M191-Y214 HydrophobicContact CE-CD2 4.37Å; M191-Y214 HydrophobicContact CE-CE2 4Å; M191-Y214 HydrophobicContact SD-CD2 3.97Å; M191-Y214 HydrophobicContact SD-CE2 4.21Å; M191-F217 HydrophobicContact CB-CD1 4.19Å; M191-F217 HydrophobicContact CB-CD2 3.67Å; M191-F217 HydrophobicContact CB-CE1 4.27Å; M191-F217 HydrophobicContact CB-CE2 3.75Å; M191-F217 HydrophobicContact CB-CG 3.88Å; M191-F217 HydrophobicContact CB-CZ 4.05Å; M191-F217 HydrophobicContact CE-CD1 4.19Å; M191-F217 HydrophobicContact CG-CD1 3.6Å; M191-F217 HydrophobicContact CG-CD2 4.03Å; M191-F217 HydrophobicContact CG-CE1 3.65Å; M191-F217 HydrophobicContact CG-CE2 4.08Å; M191-F217 HydrophobicContact CG-CG 3.78Å; M191-F217 HydrophobicContact CG-CZ 3.88Å; M191-F217 HydrophobicContact SD-CB 3.83Å; M191-F217 HydrophobicContact SD-CD1 3.51Å; M191-F217 VanDerWaalsContact SD-CD1 3.51Å; M191-F217 HydrophobicContact SD-CD2 4.43Å; M191-F217 HydrophobicContact SD-CE1 4.15Å; M191-F217 HydrophobicContact SD-CG 3.66Å
192	S	90.4	Very high	92.5	Very high	74 Å²	74	54.1 Å²	54.1	52%	0.517	30%	0.303	S	S	.	.			trans	-140.4	-24.2	175.7	59.1	0	0	0	0	113.6	N194 V197	S192-N194 PolarHBondContact O-N 3.23Å; S192-V197 WeakPolarHBondContact CA-O 3.24Å
193	K	85.6	Confident	92.6	Very high	125 Å²	125	60.5 Å²	60.5	54%	0.543	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	117.8	-172.9	-168.5	169.7	175.5	177.4	0	112.4	I195 H219	K193-I195 VanDerWaalsContact C-N 3.33Å; K193-I195 PolarHBondContact O-N 2.93Å; K193-H219 HydrophobicContact CB-CB 4.15Å; K193-H219 HydrophobicContact CD-CB 4.16Å; K193-H219 VanDerWaalsContact CD-CD2 3.47Å; K193-H219 WeakPolarHBondContact CD-CD2 3.47Å; K193-H219 VanDerWaalsContact CE-CD2 3.49Å; K193-H219 WeakPolarHBondContact CE-CD2 3.38Å; K193-H219 HydrophobicContact CG-CB 4.41Å; K193-H219 PolarHBondContact O-ND1 3.43Å; K193-H219 VanDerWaalsContact O-ND1 3.14Å
194	N	81.8	Confident	92.7	Very high	127 Å²	127	63.8 Å²	63.8	68%	0.679	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	33.6	174.9	-58	-7	0	0	0	115.2	S192 H219	S192-N194 PolarHBondContact O-N 3.23Å; N194-H219 PolarHBondContact ND2-CE1 3.48Å
195	I	83.8	Confident	92.7	Very high	10 Å²	10	67.8 Å²	67.8	5%	0.051	36%	0.361	C	S	.	.	S	Bend	trans	-124.2	2	177.2	60.7	167.4	0	0	0	114.2	M191 K193 V197 L199 G213 R216 F217	M191-I195 HydrophobicContact CB-CD1 3.93Å; K193-I195 VanDerWaalsContact C-N 3.33Å; K193-I195 PolarHBondContact O-N 2.93Å; I195-V197 HydrophobicContact CD1-CG2 3.77Å; I195-V197 HydrophobicContact CG1-CG2 3.96Å; I195-V197 WeakPolarHBondContact CG1-O 3.41Å; I195-V197 PolarHBondContact O-N 3.43Å; I195-V197 VanDerWaalsContact O-N 3.11Å; I195-L199 HydrophobicContact CD1-CD1 4.39Å; I195-L199 HydrophobicContact CD1-CG 4.47Å; I195-G213 WeakPolarHBondContact CG2-O 3.5Å; I195-R216 HydrophobicContact CG2-CB 4.43Å; I195-F217 HydrophobicContact CD1-CD2 4.08Å; I195-F217 HydrophobicContact CG2-CB 3.94Å; I195-F217 HydrophobicContact CG2-CD2 3.83Å; I195-F217 HydrophobicContact CG2-CG 4.39Å
196	G	85.6	Confident	92.8	Very high	66 Å²	66	67.7 Å²	67.7	68%	0.68	36%	0.361	S	S	*	.	S	Bend	trans	69.9	3.5	175.9	0	0	0	0	0	115.7
197	V	92.6	Very high	92.8	Very high	24 Å²	24	66.4 Å²	66.4	15%	0.145	35%	0.353	C	S	.	.	S	Bend	trans	-141.5	165.2	177.5	-64	0	0	0	0	109.4	S192 I195 L199 K209 E210	S192-V197 WeakPolarHBondContact CA-O 3.24Å; I195-V197 HydrophobicContact CD1-CG2 3.77Å; I195-V197 HydrophobicContact CG1-CG2 3.96Å; I195-V197 WeakPolarHBondContact CG1-O 3.41Å; I195-V197 PolarHBondContact O-N 3.43Å; I195-V197 VanDerWaalsContact O-N 3.11Å; V197-L199 HydrophobicContact CG2-CD2 4.15Å; V197-L199 HydrophobicContact CG2-CG 4.08Å; V197-K209 HydrophobicContact CG1-CD 4.09Å; V197-K209 HydrophobicContact CG1-CG 3.79Å; V197-E210 HydrophobicContact CG1-CG 4.42Å
198	S	94	Very high	92.8	Very high	81 Å²	81	66.4 Å²	66.4	57%	0.566	35%	0.353	S	S	*	.			trans	-121.1	110.2	172.6	178.8	0	0	0	0	109.2
199	L	95.7	Very high	92.9	Very high	5 Å²	5	69 Å²	69	3%	0.026	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-101.2	135.7	177.5	-52.3	178.1	0	0	0	109.4	V187 D190 M191 I195 V197 L206 E210 Y214	V187-L199 HydrophobicContact CG1-CB 4.16Å; D190-L199 WeakPolarHBondContact CA-O 3.16Å; M191-L199 HydrophobicContact CB-CB 4.31Å; M191-L199 PolarHBondContact N-O 2.6Å; M191-L199 PolarHBondContact O-N 3.01Å; I195-L199 HydrophobicContact CD1-CD1 4.39Å; I195-L199 HydrophobicContact CD1-CG 4.47Å; V197-L199 HydrophobicContact CG2-CD2 4.15Å; V197-L199 HydrophobicContact CG2-CG 4.08Å; L199-L206 HydrophobicContact CD1-CD1 4.39Å; L199-L206 HydrophobicContact CD2-CD2 3.98Å; L199-E210 HydrophobicContact CD2-CB 3.91Å; L199-E210 HydrophobicContact CD2-CG 4.05Å; L199-Y214 HydrophobicContact CD1-CD2 4.09Å; L199-Y214 HydrophobicContact CD1-CG 4.4Å
200	K	95.6	Very high	93.2	Very high	118 Å²	118	68.8 Å²	68.8	51%	0.513	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-97.2	154.9	172.8	-69.7	-63.9	-177.2	174.1	0	110.4	V187 D190 H204	V187-K200 VanDerWaalsContact CB-O 3.28Å; V187-K200 WeakPolarHBondContact CB-O 3.41Å; V187-K200 VanDerWaalsContact CG1-O 3.25Å; V187-K200 WeakPolarHBondContact CG1-O 3.23Å; D190-K200 WeakPolarHBondContact OD1-CA 3.34Å; D190-K200 WeakPolarHBondContact OD1-CD 3.24Å; D190-K200 WeakPolarHBondContact OD2-CD 3.48Å; D190-K200 IonicContact OD2-NZ 3.02Å; D190-K200 PolarHBondContact OD2-NZ 2.91Å; K200-H204 PolarHBondContact O-CD2 3.32Å; K200-H204 PolarHBondContact O-NE2 3.45Å
201	K	96.1	Very high	93.3	Very high	146 Å²	146	64.8 Å²	64.8	64%	0.635	34%	0.343	S	S	*	.	S	Bend	trans	-60.8	135.3	172.2	-176.5	179.4	178.4	-175.8	0	110.4	V187 E188 D190	V187-K201 CarbonylContact O-C 3.51Å; V187-K201 WeakPolarHBondContact O-CA 3.11Å; E188-K201 WeakPolarHBondContact O-CE 3.49Å; D190-K201 PolarHBondContact OD1-N 3.33Å
202	G	96.6	Very high	93.4	Very high	22 Å²	22	65.3 Å²	65.3	23%	0.227	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.4	-174.2	173.5	0	0	0	0	0	113.6	N186 V187 H204	N186-G202 CarbonylContact C-O 3.6Å; N186-G202 WeakPolarHBondContact CA-O 3.49Å; N186-G202 PolarHBondContact OD1-O 2.9Å; V187-G202 PolarHBondContact N-O 3.45Å; V187-G202 PolarHBondContact O-N 3.43Å; G202-H204 PolarHBondContact O-CD2 3.25Å
203	N	97.5	Very high	93.5	Very high	136 Å²	136	61.9 Å²	61.9	73%	0.727	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.5	176.7	-66.6	-44.8	0	0	0	110	N186	N186-N203 VanDerWaalsContact CB-OD1 3.22Å; N186-N203 WeakPolarHBondContact CB-OD1 3.45Å; N186-N203 PolarHBondContact OD1-OD1 3.36Å
204	H	97.3	Very high	94	Very high	70 Å²	70	55.9 Å²	55.9	32%	0.324	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.8	-179.3	-62.9	-73.4	0	0	0	110.9	P184 I185 K200 G202 L206	P184-H204 CarbonylContact C-O 3.5Å; P184-H204 WeakPolarHBondContact CA-O 3.22Å; I185-H204 PolarHBondContact N-O 2.9Å; I185-H204 PolarHBondContact O-N 2.8Å; K200-H204 PolarHBondContact O-CD2 3.32Å; K200-H204 PolarHBondContact O-NE2 3.45Å; G202-H204 PolarHBondContact O-CD2 3.25Å; H204-L206 HydrophobicContact CB-CD2 3.54Å; H204-L206 HydrophobicContact CB-CG 4.33Å
205	R	97.1	Very high	94.4	Very high	127 Å²	127	50.3 Å²	50.3	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	99.8	163.9	-61	-166.4	70.3	92.8	4.1	108.3	E181 G182 V183	E181-R205 WeakPolarHBondContact O-CB 3.31Å; E181-R205 VanDerWaalsContact O-CD 3.27Å; E181-R205 WeakPolarHBondContact O-CD 3.34Å; E181-R205 PolarHBondContact O-NE 3.39Å; G182-R205 VanDerWaalsContact O-CZ 3.3Å; G182-R205 PolarHBondContact O-NE 2.77Å; G182-R205 PolarHBondContact O-NH2 2.65Å; V183-R205 CarbonylContact O-C 3.58Å; V183-R205 WeakPolarHBondContact O-CA 3.39Å
206	L	97.7	Very high	94.6	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.6	-172.8	-56.3	-172.8	0	0	0	110.4	G182 V183 I185 V187 L199 H204 E210 L211 Y214	G182-L206 CarbonylContact C-O 3.55Å; G182-L206 VanDerWaalsContact CA-O 3.26Å; G182-L206 WeakPolarHBondContact CA-O 3.25Å; V183-L206 PolarHBondContact N-O 2.87Å; V183-L206 PolarHBondContact O-N 3.13Å; I185-L206 HydrophobicContact CB-CD1 3.83Å; I185-L206 HydrophobicContact CB-CG 4.12Å; I185-L206 HydrophobicContact CG1-CD1 4.05Å; I185-L206 HydrophobicContact CG1-CG 4.39Å; I185-L206 HydrophobicContact CG2-CD1 4Å; V187-L206 HydrophobicContact CG2-CD1 4.24Å; V187-L206 HydrophobicContact CG2-CD2 4.49Å; L199-L206 HydrophobicContact CD1-CD1 4.39Å; L199-L206 HydrophobicContact CD2-CD2 3.98Å; H204-L206 HydrophobicContact CB-CD2 3.54Å; H204-L206 HydrophobicContact CB-CG 4.33Å; L206-E210 WeakPolarHBondContact CA-OE2 3.24Å; L206-E210 HydrophobicContact CB-CB 3.78Å; L206-E210 HydrophobicContact CD2-CB 4.08Å; L206-E210 HydrophobicContact CG-CB 4.36Å; L206-L211 HydrophobicContact CB-CB 4.17Å; L206-L211 HydrophobicContact CB-CD1 4.31Å; L206-L211 HydrophobicContact CD1-CD1 4.31Å; L206-Y214 HydrophobicContact CD1-CG 4.21Å
207	N	96.7	Very high	94.8	Very high	61 Å²	61	50.1 Å²	50.1	33%	0.326	25%	0.245	S	C	.	.			trans	-67.2	176.5	168.3	65.1	48.6	0	0	0	111.1	K209 E210 L211	N207-K209 VanDerWaalsContact C-N 3.31Å; N207-K209 PolarHBondContact O-N 3.42Å; N207-K209 WeakPolarHBondContact OD1-CB 3.35Å; N207-K209 PolarHBondContact OD1-N 3.24Å; N207-K209 VanDerWaalsContact OD1-N 3.09Å; N207-E210 PolarHBondContact N-OE2 3.42Å; N207-E210 PolarHBondContact ND2-OE2 3.23Å; N207-E210 VanDerWaalsContact ND2-OE2 3.12Å; N207-E210 PolarHBondContact O-N 2.99Å; N207-E210 WeakPolarHBondContact OD1-CG 3.4Å; N207-E210 PolarHBondContact OD1-N 2.84Å; N207-L211 VanDerWaalsContact O-CB 3.26Å; N207-L211 WeakPolarHBondContact O-CB 3.28Å; N207-L211 PolarHBondContact O-N 3.24Å
208	G	94.8	Very high	94.4	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55.3	-43.6	-176.9	0	0	0	0	0	114	D176 L212	D176-G208 PolarHBondContact OD1-N 2.86Å; G208-L212 WeakPolarHBondContact O-CB 3.13Å; G208-L212 PolarHBondContact O-N 3.22Å
209	K	95.1	Very high	93.7	Very high	106 Å²	106	52 Å²	52	46%	0.461	24%	0.241	S	C	.	.	H	α-helix	trans	-66.6	-44.4	178.9	-171.7	-177.4	179.1	-178.2	0	112	E172 V197 N207 L212 G213	E172-K209 HydrophobicContact CG-CB 4.33Å; V197-K209 HydrophobicContact CG1-CD 4.09Å; V197-K209 HydrophobicContact CG1-CG 3.79Å; N207-K209 VanDerWaalsContact C-N 3.31Å; N207-K209 PolarHBondContact O-N 3.42Å; N207-K209 WeakPolarHBondContact OD1-CB 3.35Å; N207-K209 PolarHBondContact OD1-N 3.24Å; N207-K209 VanDerWaalsContact OD1-N 3.09Å; K209-L212 PolarHBondContact O-N 2.74Å; K209-G213 PolarHBondContact O-N 3.38Å
210	E	97.2	Very high	92.9	Very high	59 Å²	59	52.8 Å²	52.8	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-65.8	-41.6	177.3	-71.2	172.5	147.8	0	0	112.2	V197 L199 L206 N207 G213 Y214	V197-E210 HydrophobicContact CG1-CG 4.42Å; L199-E210 HydrophobicContact CD2-CB 3.91Å; L199-E210 HydrophobicContact CD2-CG 4.05Å; L206-E210 WeakPolarHBondContact CA-OE2 3.24Å; L206-E210 HydrophobicContact CB-CB 3.78Å; L206-E210 HydrophobicContact CD2-CB 4.08Å; L206-E210 HydrophobicContact CG-CB 4.36Å; N207-E210 PolarHBondContact N-OE2 3.42Å; N207-E210 PolarHBondContact ND2-OE2 3.23Å; N207-E210 VanDerWaalsContact ND2-OE2 3.12Å; N207-E210 PolarHBondContact O-N 2.99Å; N207-E210 WeakPolarHBondContact OD1-CG 3.4Å; N207-E210 PolarHBondContact OD1-N 2.84Å; E210-G213 PolarHBondContact O-N 3.4Å; E210-Y214 WeakPolarHBondContact O-CB 3.4Å; E210-Y214 PolarHBondContact O-N 3.1Å
211	L	96.1	Very high	91.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-39.9	178.3	-168.7	69.7	0	0	0	111.5	F171 I175 V183 I185 L206 N207 Y214 A215 V234 L238	F171-L211 HydrophobicContact CE1-CB 4.46Å; F171-L211 HydrophobicContact CE1-CD2 4.32Å; F171-L211 HydrophobicContact CE1-CG 4.46Å; F171-L211 HydrophobicContact CZ-CD2 4Å; F171-L211 HydrophobicContact CZ-CG 4.36Å; I175-L211 HydrophobicContact CD1-CD2 4.12Å; I175-L211 HydrophobicContact CG1-CD2 4.04Å; I175-L211 HydrophobicContact CG2-CD2 3.88Å; V183-L211 HydrophobicContact CB-CD1 4.08Å; V183-L211 HydrophobicContact CB-CD2 4.01Å; V183-L211 HydrophobicContact CG1-CD1 4.16Å; V183-L211 HydrophobicContact CG1-CD2 4.22Å; V183-L211 HydrophobicContact CG2-CD2 3.64Å; I185-L211 HydrophobicContact CD1-CD1 4.07Å; I185-L211 HydrophobicContact CG1-CD1 3.62Å; L206-L211 HydrophobicContact CB-CB 4.17Å; L206-L211 HydrophobicContact CB-CD1 4.31Å; L206-L211 HydrophobicContact CD1-CD1 4.31Å; N207-L211 VanDerWaalsContact O-CB 3.26Å; N207-L211 WeakPolarHBondContact O-CB 3.28Å; N207-L211 PolarHBondContact O-N 3.24Å; L211-Y214 WeakPolarHBondContact O-CB 3.37Å; L211-Y214 PolarHBondContact O-N 3.32Å; L211-A215 WeakPolarHBondContact O-CB 3.39Å; L211-A215 PolarHBondContact O-N 3.15Å; L211-V234 HydrophobicContact CD1-CG1 4.22Å; L211-V234 HydrophobicContact CD1-CG2 3.74Å; L211-V234 HydrophobicContact CD2-CG1 3.93Å; L211-V234 HydrophobicContact CG-CG1 4.01Å; L211-V234 HydrophobicContact CG-CG2 4.15Å; L211-L238 HydrophobicContact CD2-CD2 4.28Å
212	L	93.3	Very high	90.6	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-46.2	172.3	-179.2	63.4	0	0	0	110.8	F168 F171 E172 G208 K209 Y214 A215 R216	F168-L212 HydrophobicContact CB-CD2 3.52Å; F168-L212 HydrophobicContact CD1-CD1 3.8Å; F168-L212 HydrophobicContact CD1-CD2 4.01Å; F168-L212 HydrophobicContact CD2-CD2 4.18Å; F168-L212 HydrophobicContact CE1-CD1 4.06Å; F168-L212 HydrophobicContact CG-CD1 4.29Å; F168-L212 HydrophobicContact CG-CD2 3.64Å; F171-L212 HydrophobicContact CD1-CB 3.86Å; F171-L212 HydrophobicContact CD1-CD1 3.97Å; F171-L212 HydrophobicContact CD1-CG 4.37Å; F171-L212 HydrophobicContact CE1-CB 3.9Å; F171-L212 HydrophobicContact CE1-CD1 4.32Å; E172-L212 HydrophobicContact CG-CB 4.34Å; E172-L212 HydrophobicContact CG-CD2 3.97Å; E172-L212 WeakPolarHBondContact OE1-CD2 3.19Å; G208-L212 WeakPolarHBondContact O-CB 3.13Å; G208-L212 PolarHBondContact O-N 3.22Å; K209-L212 PolarHBondContact O-N 2.74Å; L212-Y214 VanDerWaalsContact C-N 3.32Å; L212-Y214 PolarHBondContact O-N 3.09Å; L212-A215 PolarHBondContact O-N 3.43Å; L212-R216 HydrophobicContact CD1-CG 4.12Å; L212-R216 HydrophobicContact CG-CG 4.37Å; L212-R216 WeakPolarHBondContact O-CB 3.38Å; L212-R216 VanDerWaalsContact O-CG 3.24Å; L212-R216 WeakPolarHBondContact O-CG 3.1Å; L212-R216 PolarHBondContact O-N 2.89Å
213	G	93.3	Very high	89.8	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-45	175.6	0	0	0	0	0	112.4	I195 K209 E210 R216 F217	I195-G213 WeakPolarHBondContact CG2-O 3.5Å; K209-G213 PolarHBondContact O-N 3.38Å; E210-G213 PolarHBondContact O-N 3.4Å; G213-R216 PolarHBondContact O-N 3.28Å; G213-F217 PolarHBondContact O-N 3.27Å; G213-F217 VanDerWaalsContact O-N 3.15Å
214	Y	95.2	Very high	88.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.4	-50.1	174	-179.7	-103.6	0	0	0	111.9	I185 V187 E188 M191 L199 L206 E210 L211 L212 R216 F217 R230 Q233 V234	I185-Y214 HydrophobicContact CG2-CD1 4.08Å; I185-Y214 HydrophobicContact CG2-CD2 4.21Å; I185-Y214 HydrophobicContact CG2-CE1 3.77Å; I185-Y214 HydrophobicContact CG2-CE2 3.91Å; I185-Y214 HydrophobicContact CG2-CG 4.29Å; V187-Y214 HydrophobicContact CG1-CE2 4.45Å; V187-Y214 HydrophobicContact CG2-CD2 4.21Å; V187-Y214 HydrophobicContact CG2-CE2 4.31Å; E188-Y214 VanDerWaalsContact OE2-CE2 3.24Å; E188-Y214 WeakPolarHBondContact OE2-CE2 3.39Å; E188-Y214 PolarHBondContact OE2-OH 2.88Å; M191-Y214 HydrophobicContact CE-CD2 4.37Å; M191-Y214 HydrophobicContact CE-CE2 4Å; M191-Y214 HydrophobicContact SD-CD2 3.97Å; M191-Y214 HydrophobicContact SD-CE2 4.21Å; L199-Y214 HydrophobicContact CD1-CD2 4.09Å; L199-Y214 HydrophobicContact CD1-CG 4.4Å; L206-Y214 HydrophobicContact CD1-CG 4.21Å; E210-Y214 WeakPolarHBondContact O-CB 3.4Å; E210-Y214 PolarHBondContact O-N 3.1Å; L211-Y214 WeakPolarHBondContact O-CB 3.37Å; L211-Y214 PolarHBondContact O-N 3.32Å; L212-Y214 VanDerWaalsContact C-N 3.32Å; L212-Y214 PolarHBondContact O-N 3.09Å; Y214-R216 PolarHBondContact O-N 3.47Å; Y214-F217 PolarHBondContact O-N 3.14Å; Y214-R230 HydrophobicContact CD1-CB 4.16Å; Y214-R230 HydrophobicContact CD1-CG 4.43Å; Y214-R230 HydrophobicContact CE1-CB 3.71Å; Y214-R230 HydrophobicContact CE1-CG 3.75Å; Y214-R230 HydrophobicContact CE2-CG 4.24Å; Y214-R230 VanDerWaalsContact O-CD 3.23Å; Y214-R230 WeakPolarHBondContact O-CD 3.1Å; Y214-Q233 PolarHBondContact OH-NE2 3.43Å; Y214-Q233 PolarHBondContact OH-OE1 2.79Å; Y214-Q233 VanDerWaalsContact OH-OE1 3.09Å; Y214-V234 HydrophobicContact CD1-CG2 3.79Å; Y214-V234 HydrophobicContact CE1-CG2 4.18Å
215	A	91	Very high	88.3	Confident	10 Å²	10	44.2 Å²	44.2	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-18.6	179.7	0	0	0	0	0	114.2	L211 L212 R227 Q231 V234	L211-A215 WeakPolarHBondContact O-CB 3.39Å; L211-A215 PolarHBondContact O-N 3.15Å; L212-A215 PolarHBondContact O-N 3.43Å; A215-R227 WeakPolarHBondContact O-CG 3.35Å; A215-Q231 HydrophobicContact CB-CG 4.14Å; A215-Q231 PolarHBondContact O-NE2 3.12Å; A215-V234 HydrophobicContact CB-CG2 4.32Å
216	R	89.1	Confident	87.9	Confident	66 Å²	66	38.2 Å²	38.2	25%	0.249	19%	0.194	C	C	.	.	H	α-helix	trans	-96.6	-12.8	179.8	-71.6	175.9	74.7	-173.1	9.4	113.7	D91 D101 F168 I195 L212 G213 Y214 R218	D91-R216 IonicContact OD2-CZ 3.98Å; D91-R216 IonicContact OD2-NH1 2.88Å; D91-R216 IonicContact OD2-NH2 3.62Å; D91-R216 PolarHBondContact OD2-NH2 3.16Å; D101-R216 IonicContact OD2-CZ 2.72Å; D101-R216 IonicContact OD2-NE 3.8Å; D101-R216 IonicContact OD2-NH2 3.62Å; D101-R216 PolarHBondContact OD2-NH2 2.85Å; D101-R216 VanDerWaalsContact OD2-NH2 3.13Å; F168-R216 VanDerWaalsContact CE2-NH2 3.29Å; I195-R216 HydrophobicContact CG2-CB 4.43Å; L212-R216 HydrophobicContact CD1-CG 4.12Å; L212-R216 HydrophobicContact CG-CG 4.37Å; L212-R216 WeakPolarHBondContact O-CB 3.38Å; L212-R216 VanDerWaalsContact O-CG 3.24Å; L212-R216 WeakPolarHBondContact O-CG 3.1Å; L212-R216 PolarHBondContact O-N 2.89Å; G213-R216 PolarHBondContact O-N 3.28Å; Y214-R216 PolarHBondContact O-N 3.47Å; R216-R218 PolarHBondContact O-N 2.73Å
217	F	89.1	Confident	87.4	Confident	5 Å²	5	38.5 Å²	38.5	2%	0.022	20%	0.195	C	C	.	.			trans	-64.5	131.8	-173.6	-172.5	-103.4	0	0	0	113	K189 M191 I195 G213 Y214 H219 D220 R230	K189-F217 VanDerWaalsContact CE-CE1 3.48Å; M191-F217 HydrophobicContact CB-CD1 4.19Å; M191-F217 HydrophobicContact CB-CD2 3.67Å; M191-F217 HydrophobicContact CB-CE1 4.27Å; M191-F217 HydrophobicContact CB-CE2 3.75Å; M191-F217 HydrophobicContact CB-CG 3.88Å; M191-F217 HydrophobicContact CB-CZ 4.05Å; M191-F217 HydrophobicContact CE-CD1 4.19Å; M191-F217 HydrophobicContact CG-CD1 3.6Å; M191-F217 HydrophobicContact CG-CD2 4.03Å; M191-F217 HydrophobicContact CG-CE1 3.65Å; M191-F217 HydrophobicContact CG-CE2 4.08Å; M191-F217 HydrophobicContact CG-CG 3.78Å; M191-F217 HydrophobicContact CG-CZ 3.88Å; M191-F217 HydrophobicContact SD-CB 3.83Å; M191-F217 HydrophobicContact SD-CD1 3.51Å; M191-F217 VanDerWaalsContact SD-CD1 3.51Å; M191-F217 HydrophobicContact SD-CD2 4.43Å; M191-F217 HydrophobicContact SD-CE1 4.15Å; M191-F217 HydrophobicContact SD-CG 3.66Å; I195-F217 HydrophobicContact CD1-CD2 4.08Å; I195-F217 HydrophobicContact CG2-CB 3.94Å; I195-F217 HydrophobicContact CG2-CD2 3.83Å; I195-F217 HydrophobicContact CG2-CG 4.39Å; G213-F217 PolarHBondContact O-N 3.27Å; G213-F217 VanDerWaalsContact O-N 3.15Å; Y214-F217 PolarHBondContact O-N 3.14Å; F217-H219 HydrophobicContact CE1-CB 4.48Å; F217-H219 HydrophobicContact CE2-CB 3.82Å; F217-H219 HydrophobicContact CZ-CB 3.71Å; F217-H219 VanDerWaalsContact CZ-O 3.24Å; F217-H219 WeakPolarHBondContact CZ-O 3.46Å; F217-D220 HydrophobicContact CE1-CB 4.03Å; F217-R230 PolarHBondContact O-NH1 2.85Å
218	R	84.5	Confident	86.9	Confident	65 Å²	65	35.8 Å²	35.8	25%	0.245	18%	0.181	C	C	.	.			trans	-130	-11.8	-175.3	-75.1	177.4	63.4	127.5	-8	115	D123 R216 D220 D224 R227	D123-R218 IonicContact OD2-CZ 3Å; D123-R218 IonicContact OD2-NH1 3.31Å; D123-R218 IonicContact OD2-NH2 2.8Å; D123-R218 PolarHBondContact OD2-NH2 3.48Å; R216-R218 PolarHBondContact O-N 2.73Å; R218-D220 PolarHBondContact O-N 2.95Å; R218-D224 IonicContact CZ-OD1 3.99Å; R218-D224 IonicContact CZ-OD2 3.49Å; R218-D224 IonicContact NE-OD1 3.49Å; R218-D224 PolarHBondContact NE-OD1 2.94Å; R218-D224 IonicContact NH1-OD1 2.78Å; R218-D224 PolarHBondContact NH1-OD1 2.9Å; R218-D224 IonicContact NH1-OD2 3.22Å; R218-D224 PolarHBondContact NH1-OD2 3.44Å; R218-D224 IonicContact NH2-OD1 3.84Å; R218-D224 PolarHBondContact NH2-OD1 2.88Å; R218-R227 HydrophobicContact CG-CB 4.3Å; R218-R227 HydrophobicContact CG-CG 4.47Å
219	H	79.5	Confident	86.6	Confident	79 Å²	79	39.9 Å²	39.9	37%	0.366	20%	0.196	S	C	.	.			trans	-84.6	56.8	-172.1	-68.2	90.7	0	0	0	110.4	K189 K193 N194 F217	K189-H219 PolarHBondContact NZ-O 3.11Å; K193-H219 HydrophobicContact CB-CB 4.15Å; K193-H219 HydrophobicContact CD-CB 4.16Å; K193-H219 VanDerWaalsContact CD-CD2 3.47Å; K193-H219 WeakPolarHBondContact CD-CD2 3.47Å; K193-H219 VanDerWaalsContact CE-CD2 3.49Å; K193-H219 WeakPolarHBondContact CE-CD2 3.38Å; K193-H219 HydrophobicContact CG-CB 4.41Å; K193-H219 PolarHBondContact O-ND1 3.43Å; K193-H219 VanDerWaalsContact O-ND1 3.14Å; N194-H219 PolarHBondContact ND2-CE1 3.48Å; F217-H219 HydrophobicContact CE1-CB 4.48Å; F217-H219 HydrophobicContact CE2-CB 3.82Å; F217-H219 HydrophobicContact CZ-CB 3.71Å; F217-H219 VanDerWaalsContact CZ-O 3.24Å; F217-H219 WeakPolarHBondContact CZ-O 3.46Å
220	D	77.7	Confident	86.4	Confident	22 Å²	22	34.9 Å²	34.9	12%	0.118	18%	0.175	C	C	.	.	S	Bend	trans	-134.2	167.7	174.9	68.1	24	0	0	0	111.3	K189 F217 R218 E222 G223 R230	K189-D220 VanDerWaalsContact CE-CB 3.43Å; F217-D220 HydrophobicContact CE1-CB 4.03Å; R218-D220 PolarHBondContact O-N 2.95Å; D220-E222 PolarHBondContact O-N 3.4Å; D220-E222 WeakPolarHBondContact OD1-CA 3.46Å; D220-E222 WeakPolarHBondContact OD1-CB 3.39Å; D220-E222 PolarHBondContact OD1-N 2.89Å; D220-G223 PolarHBondContact O-N 2.75Å; D220-G223 PolarHBondContact OD1-N 3.15Å; D220-R230 IonicContact OD2-CZ 3.93Å; D220-R230 IonicContact OD2-NH1 3.2Å; D220-R230 PolarHBondContact OD2-NH1 2.8Å; D220-R230 IonicContact OD2-NH2 3.74Å; D220-R230 PolarHBondContact OD2-NH2 3.4Å
221	P	70.9	Confident	86	Confident	136 Å²	136	33.2 Å²	33.2	88%	0.883	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21	177.3	-23.6	35.3	0	0	0	114	G223	P221-G223 VanDerWaalsContact C-N 3.34Å
222	E	73.2	Confident	85.6	Confident	96 Å²	96	34.7 Å²	34.7	45%	0.449	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-14.5	-179.6	-57	-170.6	136.5	0	0	112.6	D220 D224 F225 G226 R229	D220-E222 PolarHBondContact O-N 3.4Å; D220-E222 WeakPolarHBondContact OD1-CA 3.46Å; D220-E222 WeakPolarHBondContact OD1-CB 3.39Å; D220-E222 PolarHBondContact OD1-N 2.89Å; E222-D224 PolarHBondContact O-N 3.45Å; E222-F225 PolarHBondContact O-N 2.87Å; E222-F225 VanDerWaalsContact O-N 3.11Å; E222-G226 PolarHBondContact O-N 2.89Å; E222-G226 VanDerWaalsContact OE2-CA 3.29Å; E222-G226 WeakPolarHBondContact OE2-CA 3.42Å; E222-R229 IonicContact OE1-NE 2.78Å; E222-R229 IonicContact OE2-CZ 3.56Å; E222-R229 IonicContact OE2-NE 2.71Å; E222-R229 PolarHBondContact OE2-NE 2.85Å; E222-R229 IonicContact OE2-NH2 3.9Å; E222-R229 PolarHBondContact OE2-NH2 3.18Å
223	G	79.5	Confident	85.4	Confident	23 Å²	23	36.2 Å²	36.2	24%	0.237	18%	0.18	C	C	.	.	H	α-helix	trans	52.4	-117.5	178.8	0	0	0	0	0	113	D220 P221 R227	D220-G223 PolarHBondContact O-N 2.75Å; D220-G223 PolarHBondContact OD1-N 3.15Å; P221-G223 VanDerWaalsContact C-N 3.34Å; G223-R227 PolarHBondContact O-N 3.48Å
224	D	79.8	Confident	85.4	Confident	14 Å²	14	36.4 Å²	36.4	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-74.8	-30.9	-177.6	-88.7	31.1	0	0	0	113.4	M121 R218 E222 R227 V228	M121-D224 HydrophobicContact CE-CB 3.21Å; M121-D224 HydrophobicContact CG-CB 4.2Å; M121-D224 HydrophobicContact SD-CB 4.25Å; R218-D224 IonicContact CZ-OD1 3.99Å; R218-D224 IonicContact CZ-OD2 3.49Å; R218-D224 IonicContact NE-OD1 3.49Å; R218-D224 PolarHBondContact NE-OD1 2.94Å; R218-D224 IonicContact NH1-OD1 2.78Å; R218-D224 PolarHBondContact NH1-OD1 2.9Å; R218-D224 IonicContact NH1-OD2 3.22Å; R218-D224 PolarHBondContact NH1-OD2 3.44Å; R218-D224 IonicContact NH2-OD1 3.84Å; R218-D224 PolarHBondContact NH2-OD1 2.88Å; E222-D224 PolarHBondContact O-N 3.45Å; D224-R227 VanDerWaalsContact CG-NH2 3.34Å; D224-R227 PolarHBondContact O-N 3.35Å; D224-R227 IonicContact OD1-CZ 3.96Å; D224-R227 IonicContact OD1-NH1 2.75Å; D224-R227 PolarHBondContact OD1-NH1 2.85Å; D224-R227 IonicContact OD1-NH2 3.57Å; D224-R227 IonicContact OD2-CZ 2.71Å; D224-R227 IonicContact OD2-NH1 3.6Å; D224-R227 PolarHBondContact OD2-NH1 3.38Å; D224-R227 IonicContact OD2-NH2 3.67Å; D224-R227 PolarHBondContact OD2-NH2 2.79Å; D224-V228 WeakPolarHBondContact O-CG2 3.24Å; D224-V228 PolarHBondContact O-N 3.11Å
225	F	84.5	Confident	85	Confident	44 Å²	44	40 Å²	40	19%	0.193	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-41.4	174.7	-74.7	-85.8	0	0	0	111.2	M121 E222 R227 V228 R229 T290 K294 Y297	M121-F225 HydrophobicContact CE-CD2 3.92Å; M121-F225 HydrophobicContact CE-CE2 3.54Å; M121-F225 HydrophobicContact CE-CZ 4.13Å; M121-F225 HydrophobicContact SD-CD1 4.49Å; M121-F225 HydrophobicContact SD-CD2 4.16Å; M121-F225 HydrophobicContact SD-CE1 4.06Å; M121-F225 HydrophobicContact SD-CE2 3.65Å; M121-F225 HydrophobicContact SD-CZ 3.61Å; E222-F225 PolarHBondContact O-N 2.87Å; E222-F225 VanDerWaalsContact O-N 3.11Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 3.04Å; F225-V228 PolarHBondContact O-N 2.8Å; F225-R229 WeakPolarHBondContact O-CB 3.4Å; F225-R229 PolarHBondContact O-N 2.87Å; F225-T290 HydrophobicContact CD1-CG2 3.96Å; F225-T290 HydrophobicContact CE1-CG2 3.78Å; F225-K294 HydrophobicContact CE1-CG 4.03Å; F225-K294 HydrophobicContact CZ-CG 4.29Å; F225-Y297 AromaticContact CE2-CE1 3.87Å; F225-Y297 HydrophobicContact CE2-CE1 3.87Å; F225-Y297 AromaticContact CE2-CZ 3.69Å; F225-Y297 WeakPolarHBondContact CE2-OH 3.33Å; F225-Y297 AromaticContact CZ-CE1 3.68Å; F225-Y297 HydrophobicContact CZ-CE1 3.68Å
226	G	86.9	Confident	84.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-44.3	175.1	0	0	0	0	0	111.7	E222 R229 R230	E222-G226 PolarHBondContact O-N 2.89Å; E222-G226 VanDerWaalsContact OE2-CA 3.29Å; E222-G226 WeakPolarHBondContact OE2-CA 3.42Å; G226-R229 PolarHBondContact O-N 2.77Å; G226-R230 WeakPolarHBondContact O-CG 3.39Å; G226-R230 PolarHBondContact O-N 2.82Å
227	R	87.9	Confident	84.8	Confident	9 Å²	9	43 Å²	43	3%	0.034	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-47.9	174.7	-170.3	-178.1	64.8	-95.4	5.1	112.2	A215 R218 G223 D224 F225 R229 R230 Q231	A215-R227 WeakPolarHBondContact O-CG 3.35Å; R218-R227 HydrophobicContact CG-CB 4.3Å; R218-R227 HydrophobicContact CG-CG 4.47Å; G223-R227 PolarHBondContact O-N 3.48Å; D224-R227 VanDerWaalsContact CG-NH2 3.34Å; D224-R227 PolarHBondContact O-N 3.35Å; D224-R227 IonicContact OD1-CZ 3.96Å; D224-R227 IonicContact OD1-NH1 2.75Å; D224-R227 PolarHBondContact OD1-NH1 2.85Å; D224-R227 IonicContact OD1-NH2 3.57Å; D224-R227 IonicContact OD2-CZ 2.71Å; D224-R227 IonicContact OD2-NH1 3.6Å; D224-R227 PolarHBondContact OD2-NH1 3.38Å; D224-R227 IonicContact OD2-NH2 3.67Å; D224-R227 PolarHBondContact OD2-NH2 2.79Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 3.04Å; R227-R229 VanDerWaalsContact C-N 3.34Å; R227-R229 PolarHBondContact O-N 3.3Å; R227-R230 PolarHBondContact O-N 3.49Å; R227-Q231 WeakPolarHBondContact O-CG 3.17Å; R227-Q231 PolarHBondContact O-N 3.25Å
228	V	85.9	Confident	84.7	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-43.5	179	170	0	0	0	0	111.1	S119 M121 D224 F225 R230 Q231 Q232 T290	S119-V228 VanDerWaalsContact CB-CG1 3.42Å; M121-V228 HydrophobicContact CG-CG2 4.39Å; D224-V228 WeakPolarHBondContact O-CG2 3.24Å; D224-V228 PolarHBondContact O-N 3.11Å; F225-V228 PolarHBondContact O-N 2.8Å; V228-R230 VanDerWaalsContact C-N 3.31Å; V228-R230 PolarHBondContact O-N 2.89Å; V228-Q231 WeakPolarHBondContact O-CB 3.4Å; V228-Q231 PolarHBondContact O-N 2.92Å; V228-Q231 VanDerWaalsContact O-N 3.14Å; V228-Q232 HydrophobicContact CG1-CG 4.49Å; V228-Q232 WeakPolarHBondContact O-CG 3.48Å; V228-Q232 PolarHBondContact O-N 3.27Å; V228-T290 HydrophobicContact CB-CG2 4.33Å; V228-T290 HydrophobicContact CG1-CG2 3.91Å; V228-T290 VanDerWaalsContact CG1-OG1 3.3Å; V228-T290 WeakPolarHBondContact CG1-OG1 3.38Å; V228-T290 HydrophobicContact CG2-CG2 4.34Å
229	R	88.3	Confident	84.6	Confident	86 Å²	86	42 Å²	42	33%	0.325	21%	0.214	S	C	.	.	H	α-helix	trans	-56.4	-44	174.6	-178.7	179.6	61.9	71.4	2.9	111.6	E188 E222 F225 G226 R227 Q232 Q233	E188-R229 IonicContact OE1-CZ 3.89Å; E188-R229 IonicContact OE1-NH1 3.22Å; E188-R229 IonicContact OE1-NH2 2.69Å; E188-R229 PolarHBondContact OE1-NH2 3.32Å; E222-R229 IonicContact OE1-NE 2.78Å; E222-R229 IonicContact OE2-CZ 3.56Å; E222-R229 IonicContact OE2-NE 2.71Å; E222-R229 PolarHBondContact OE2-NE 2.85Å; E222-R229 IonicContact OE2-NH2 3.9Å; E222-R229 PolarHBondContact OE2-NH2 3.18Å; F225-R229 WeakPolarHBondContact O-CB 3.4Å; F225-R229 PolarHBondContact O-N 2.87Å; G226-R229 PolarHBondContact O-N 2.77Å; R227-R229 VanDerWaalsContact C-N 3.34Å; R227-R229 PolarHBondContact O-N 3.3Å; R229-Q232 WeakPolarHBondContact O-CB 3.21Å; R229-Q232 PolarHBondContact O-N 3.24Å; R229-Q233 WeakPolarHBondContact O-CB 3.49Å; R229-Q233 PolarHBondContact O-N 3.26Å
230	R	92	Very high	84.7	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-40.9	175.7	-69.1	-178.8	-169.7	98.9	11.9	112.7	E188 Y214 F217 D220 G226 R227 V228 Q232 Q233 V234	E188-R230 IonicContact OE1-CZ 3.95Å; E188-R230 IonicContact OE1-NE 2.73Å; E188-R230 PolarHBondContact OE1-NE 2.86Å; E188-R230 IonicContact OE1-NH2 3.13Å; E188-R230 PolarHBondContact OE1-NH2 2.93Å; E188-R230 IonicContact OE2-NE 3.53Å; Y214-R230 HydrophobicContact CD1-CB 4.16Å; Y214-R230 HydrophobicContact CD1-CG 4.43Å; Y214-R230 HydrophobicContact CE1-CB 3.71Å; Y214-R230 HydrophobicContact CE1-CG 3.75Å; Y214-R230 HydrophobicContact CE2-CG 4.24Å; Y214-R230 VanDerWaalsContact O-CD 3.23Å; Y214-R230 WeakPolarHBondContact O-CD 3.1Å; F217-R230 PolarHBondContact O-NH1 2.85Å; D220-R230 IonicContact OD2-CZ 3.93Å; D220-R230 IonicContact OD2-NH1 3.2Å; D220-R230 PolarHBondContact OD2-NH1 2.8Å; D220-R230 IonicContact OD2-NH2 3.74Å; D220-R230 PolarHBondContact OD2-NH2 3.4Å; G226-R230 WeakPolarHBondContact O-CG 3.39Å; G226-R230 PolarHBondContact O-N 2.82Å; R227-R230 PolarHBondContact O-N 3.49Å; V228-R230 VanDerWaalsContact C-N 3.31Å; V228-R230 PolarHBondContact O-N 2.89Å; R230-Q232 VanDerWaalsContact C-N 3.31Å; R230-Q232 PolarHBondContact O-N 2.87Å; R230-Q233 PolarHBondContact O-N 3Å; R230-V234 WeakPolarHBondContact O-CG2 3.36Å; R230-V234 PolarHBondContact O-N 2.8Å
231	Q	88.6	Confident	85	Confident	24 Å²	24	46.2 Å²	46.2	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-41.7	175.5	-70.5	177.5	11.3	0	0	111.4	S102 A215 R227 V228 V234 M235	S102-Q231 PolarHBondContact OG-OE1 3.17Å; A215-Q231 HydrophobicContact CB-CG 4.14Å; A215-Q231 PolarHBondContact O-NE2 3.12Å; R227-Q231 WeakPolarHBondContact O-CG 3.17Å; R227-Q231 PolarHBondContact O-N 3.25Å; V228-Q231 WeakPolarHBondContact O-CB 3.4Å; V228-Q231 PolarHBondContact O-N 2.92Å; V228-Q231 VanDerWaalsContact O-N 3.14Å; Q231-V234 PolarHBondContact O-N 3.37Å; Q231-M235 PolarHBondContact O-N 2.91Å
232	Q	86.9	Confident	85.3	Confident	30 Å²	30	43.2 Å²	43.2	14%	0.14	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-44.6	173.5	-70	171.3	-11.1	0	0	111.6	V228 R229 R230 V234 M235 Q236 S288	V228-Q232 HydrophobicContact CG1-CG 4.49Å; V228-Q232 WeakPolarHBondContact O-CG 3.48Å; V228-Q232 PolarHBondContact O-N 3.27Å; R229-Q232 WeakPolarHBondContact O-CB 3.21Å; R229-Q232 PolarHBondContact O-N 3.24Å; R230-Q232 VanDerWaalsContact C-N 3.31Å; R230-Q232 PolarHBondContact O-N 2.87Å; Q232-V234 PolarHBondContact O-N 2.82Å; Q232-M235 PolarHBondContact O-N 3.2Å; Q232-Q236 WeakPolarHBondContact O-CB 3.43Å; Q232-Q236 WeakPolarHBondContact O-CG 3.44Å; Q232-Q236 PolarHBondContact O-N 3.33Å; Q232-S288 PolarHBondContact NE2-OG 2.94Å
233	Q	90.6	Very high	85.3	Confident	44 Å²	44	43.6 Å²	43.6	21%	0.206	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-44.9	176.2	-178.4	178.4	-23.5	0	0	111.9	Y214 R229 R230 M235 Q236 T237	Y214-Q233 PolarHBondContact OH-NE2 3.43Å; Y214-Q233 PolarHBondContact OH-OE1 2.79Å; Y214-Q233 VanDerWaalsContact OH-OE1 3.09Å; R229-Q233 WeakPolarHBondContact O-CB 3.49Å; R229-Q233 PolarHBondContact O-N 3.26Å; R230-Q233 PolarHBondContact O-N 3Å; Q233-M235 VanDerWaalsContact C-N 3.33Å; Q233-M235 PolarHBondContact O-N 2.93Å; Q233-Q236 PolarHBondContact O-N 3.47Å; Q233-T237 WeakPolarHBondContact O-CB 3.41Å; Q233-T237 PolarHBondContact O-N 3.37Å; Q233-T237 PolarHBondContact O-OG1 3.06Å; Q233-T237 VanDerWaalsContact O-OG1 3.1Å
234	V	91.7	Very high	85.2	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-47.8	175	168.1	0	0	0	0	110.3	F171 I185 L211 Y214 A215 R230 Q231 Q232 Q236 T237 L238	F171-V234 HydrophobicContact CZ-CG1 4.35Å; I185-V234 HydrophobicContact CD1-CG2 4.47Å; L211-V234 HydrophobicContact CD1-CG1 4.22Å; L211-V234 HydrophobicContact CD1-CG2 3.74Å; L211-V234 HydrophobicContact CD2-CG1 3.93Å; L211-V234 HydrophobicContact CG-CG1 4.01Å; L211-V234 HydrophobicContact CG-CG2 4.15Å; Y214-V234 HydrophobicContact CD1-CG2 3.79Å; Y214-V234 HydrophobicContact CE1-CG2 4.18Å; A215-V234 HydrophobicContact CB-CG2 4.32Å; R230-V234 WeakPolarHBondContact O-CG2 3.36Å; R230-V234 PolarHBondContact O-N 2.8Å; Q231-V234 PolarHBondContact O-N 3.37Å; Q232-V234 PolarHBondContact O-N 2.82Å; V234-Q236 PolarHBondContact O-N 3.14Å; V234-T237 PolarHBondContact O-N 3.49Å; V234-L238 HydrophobicContact CG1-CD1 3.78Å; V234-L238 HydrophobicContact CG1-CG 4.23Å; V234-L238 WeakPolarHBondContact O-CB 3.23Å; V234-L238 VanDerWaalsContact O-CG 3.24Å; V234-L238 WeakPolarHBondContact O-CG 3.44Å; V234-L238 PolarHBondContact O-N 3.47Å
235	M	86.8	Confident	84.8	Confident	76 Å²	76	53.3 Å²	53.3	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-43.2	179.2	-171.1	59.9	69.6	0	0	112.4	M117 Q231 Q232 Q233 L238 K239	M117-M235 HydrophobicContact CE-CB 4.2Å; M117-M235 HydrophobicContact CE-CG 3.61Å; M117-M235 HydrophobicContact SD-CG 3.83Å; Q231-M235 PolarHBondContact O-N 2.91Å; Q232-M235 PolarHBondContact O-N 3.2Å; Q233-M235 VanDerWaalsContact C-N 3.33Å; Q233-M235 PolarHBondContact O-N 2.93Å; M235-L238 PolarHBondContact O-N 2.98Å; M235-K239 WeakPolarHBondContact O-CB 3.42Å; M235-K239 PolarHBondContact O-N 2.89Å
236	Q	86.3	Confident	84.6	Confident	112 Å²	112	61.6 Å²	61.6	52%	0.523	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-43.7	177	-73.8	174.7	-7	0	0	111.9	Q232 Q233 V234 K239 K240	Q232-Q236 WeakPolarHBondContact O-CB 3.43Å; Q232-Q236 WeakPolarHBondContact O-CG 3.44Å; Q232-Q236 PolarHBondContact O-N 3.33Å; Q233-Q236 PolarHBondContact O-N 3.47Å; V234-Q236 PolarHBondContact O-N 3.14Å; Q236-K239 WeakPolarHBondContact O-CB 3.48Å; Q236-K239 PolarHBondContact O-N 3.39Å; Q236-K240 PolarHBondContact O-N 2.7Å; Q236-K240 VanDerWaalsContact O-N 3.08Å
237	T	90.2	Very high	84.1	Confident	25 Å²	25	62.1 Å²	62.1	15%	0.153	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-47.7	176.3	-61.9	0	0	0	0	111.2	V183 P184 I185 Q233 V234 K239 K240 E241	V183-T237 HydrophobicContact CG1-CG2 3.54Å; P184-T237 HydrophobicContact CG-CG2 4.01Å; P184-T237 VanDerWaalsContact O-CG2 3.3Å; P184-T237 WeakPolarHBondContact O-CG2 3.39Å; I185-T237 HydrophobicContact CD1-CG2 4.23Å; Q233-T237 WeakPolarHBondContact O-CB 3.41Å; Q233-T237 PolarHBondContact O-N 3.37Å; Q233-T237 PolarHBondContact O-OG1 3.06Å; Q233-T237 VanDerWaalsContact O-OG1 3.1Å; V234-T237 PolarHBondContact O-N 3.49Å; T237-K239 VanDerWaalsContact C-N 3.28Å; T237-K239 PolarHBondContact O-N 3.43Å; T237-K240 WeakPolarHBondContact O-CB 3.32Å; T237-K240 PolarHBondContact O-N 2.63Å; T237-K240 VanDerWaalsContact O-N 3.1Å; T237-E241 HydrophobicContact CG2-CG 4.38Å; T237-E241 WeakPolarHBondContact O-CG 3.49Å; T237-E241 PolarHBondContact O-N 2.76Å
238	L	87.3	Confident	83.6	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.089	30%	0.304	C	S	.	.	H	α-helix	trans	-59.6	-40.4	178	-69.4	175.7	0	0	0	111.6	I175 M179 V183 L211 V234 M235 K240 E241 M242	I175-L238 HydrophobicContact CD1-CD1 3.76Å; I175-L238 HydrophobicContact CD1-CD2 3.59Å; I175-L238 HydrophobicContact CD1-CG 4.35Å; M179-L238 HydrophobicContact SD-CD2 4.24Å; V183-L238 HydrophobicContact CG1-CD2 4.07Å; V183-L238 HydrophobicContact CG2-CD2 3.99Å; L211-L238 HydrophobicContact CD2-CD2 4.28Å; V234-L238 HydrophobicContact CG1-CD1 3.78Å; V234-L238 HydrophobicContact CG1-CG 4.23Å; V234-L238 WeakPolarHBondContact O-CB 3.23Å; V234-L238 VanDerWaalsContact O-CG 3.24Å; V234-L238 WeakPolarHBondContact O-CG 3.44Å; V234-L238 PolarHBondContact O-N 3.47Å; M235-L238 PolarHBondContact O-N 2.98Å; L238-K240 PolarHBondContact O-N 3.21Å; L238-E241 PolarHBondContact O-N 3.02Å; L238-M242 WeakPolarHBondContact O-CB 3.38Å; L238-M242 VanDerWaalsContact O-CG 3.3Å; L238-M242 WeakPolarHBondContact O-CG 3.49Å; L238-M242 PolarHBondContact O-N 2.86Å
239	K	81.5	Confident	83.5	Confident	34 Å²	34	67.3 Å²	67.3	15%	0.148	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-48.6	173.5	-179.6	-178.3	-173.8	166.7	0	111.9	M235 Q236 T237 E241 M242 K284 V286	M235-K239 WeakPolarHBondContact O-CB 3.42Å; M235-K239 PolarHBondContact O-N 2.89Å; Q236-K239 WeakPolarHBondContact O-CB 3.48Å; Q236-K239 PolarHBondContact O-N 3.39Å; T237-K239 VanDerWaalsContact C-N 3.28Å; T237-K239 PolarHBondContact O-N 3.43Å; K239-E241 PolarHBondContact O-N 3.23Å; K239-M242 PolarHBondContact O-N 2.72Å; K239-K284 WeakPolarHBondContact CE-O 3.28Å; K239-K284 PolarHBondContact NZ-O 2.79Å; K239-V286 HydrophobicContact CD-CG2 4.34Å
240	K	82.9	Confident	83.2	Confident	157 Å²	157	65.8 Å²	65.8	68%	0.683	32%	0.315	S	S	*	.	H	α-helix	trans	-58.8	-39.8	178.3	-173.7	179.1	177.9	-179	0	111.4	Q236 T237 L238	Q236-K240 PolarHBondContact O-N 2.7Å; Q236-K240 VanDerWaalsContact O-N 3.08Å; T237-K240 WeakPolarHBondContact O-CB 3.32Å; T237-K240 PolarHBondContact O-N 2.63Å; T237-K240 VanDerWaalsContact O-N 3.1Å; L238-K240 PolarHBondContact O-N 3.21Å
241	E	84.1	Confident	82.6	Confident	32 Å²	32	69 Å²	69	15%	0.15	33%	0.331	C	S	.	.	H	α-helix	trans	-76.8	-28	-178.6	-65.8	-66.7	149.2	0	0	113.7	M179 P184 T237 L238 K239 V243 N244 T247	M179-E241 HydrophobicContact CE-CB 3.71Å; M179-E241 HydrophobicContact CE-CG 3.41Å; M179-E241 VanDerWaalsContact CE-CG 3.41Å; M179-E241 VanDerWaalsContact CE-OE2 3.27Å; M179-E241 WeakPolarHBondContact CE-OE2 3.25Å; M179-E241 HydrophobicContact SD-CB 3.57Å; M179-E241 VanDerWaalsContact SD-CB 3.57Å; M179-E241 HydrophobicContact SD-CG 3.79Å; P184-E241 HydrophobicContact CG-CG 4.45Å; P184-E241 WeakPolarHBondContact CG-OE1 3.47Å; T237-E241 HydrophobicContact CG2-CG 4.38Å; T237-E241 WeakPolarHBondContact O-CG 3.49Å; T237-E241 PolarHBondContact O-N 2.76Å; L238-E241 PolarHBondContact O-N 3.02Å; K239-E241 PolarHBondContact O-N 3.23Å; E241-V243 PolarHBondContact O-N 3.22Å; E241-N244 WeakPolarHBondContact O-CB 3.47Å; E241-N244 PolarHBondContact O-N 3.39Å; E241-N244 PolarHBondContact O-ND2 3.1Å; E241-N244 PolarHBondContact OE2-ND2 2.86Å; E241-N244 VanDerWaalsContact OE2-ND2 3.08Å; E241-T247 WeakPolarHBondContact O-CB 3.47Å; E241-T247 PolarHBondContact O-OG1 2.93Å
242	M	75.8	Confident	82.3	Confident	73 Å²	73	68.9 Å²	68.9	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-68.8	-20	175.9	-78.5	-171.8	-66.1	0	0	113.7	L238 K239 N244 T247 V248	L238-M242 WeakPolarHBondContact O-CB 3.38Å; L238-M242 VanDerWaalsContact O-CG 3.3Å; L238-M242 WeakPolarHBondContact O-CG 3.49Å; L238-M242 PolarHBondContact O-N 2.86Å; K239-M242 PolarHBondContact O-N 2.72Å; M242-N244 PolarHBondContact O-N 2.69Å; M242-T247 HydrophobicContact CG-CG2 4.28Å; M242-V248 WeakPolarHBondContact O-CG2 3.17Å
243	V	74.7	Confident	82.1	Confident	104 Å²	104	70 Å²	70	63%	0.63	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.2	175.8	-175.8	0	0	0	0	111.7	E241	E241-V243 PolarHBondContact O-N 3.22Å
244	N	76.5	Confident	81.7	Confident	75 Å²	75	68.2 Å²	68.2	40%	0.401	33%	0.329	S	S	.	.	S	Bend	trans	-69.7	131.6	178.5	-66.1	-33.6	0	0	0	111.2	E241 M242 R246 T247 V248	E241-N244 WeakPolarHBondContact O-CB 3.47Å; E241-N244 PolarHBondContact O-N 3.39Å; E241-N244 PolarHBondContact O-ND2 3.1Å; E241-N244 PolarHBondContact OE2-ND2 2.86Å; E241-N244 VanDerWaalsContact OE2-ND2 3.08Å; M242-N244 PolarHBondContact O-N 2.69Å; N244-R246 PolarHBondContact O-N 2.86Å; N244-R246 VanDerWaalsContact O-N 3.11Å; N244-T247 WeakPolarHBondContact O-CA 3.24Å; N244-T247 WeakPolarHBondContact O-CB 3.46Å; N244-T247 PolarHBondContact O-N 3.1Å; N244-V248 PolarHBondContact O-N 3.47Å; N244-V248 VanDerWaalsContact O-N 3.13Å
245	F	72.3	Confident	81.2	Confident	166 Å²	166	70 Å²	70	73%	0.728	34%	0.344	S	S	*	.	H	α-helix	trans	-51.6	-39.5	-178.6	178.3	-100.6	0	0	0	113.2	T247 V248 V249	F245-T247 VanDerWaalsContact C-N 3.28Å; F245-T247 PolarHBondContact O-N 3.35Å; F245-V248 PolarHBondContact O-N 3.42Å; F245-V249 HydrophobicContact CD1-CG2 4.4Å; F245-V249 HydrophobicContact CE1-CG2 3.98Å; F245-V249 HydrophobicContact CE2-CG2 4.31Å; F245-V249 HydrophobicContact CZ-CG2 3.93Å; F245-V249 WeakPolarHBondContact O-CG2 3.4Å; F245-V249 PolarHBondContact O-N 3.05Å
246	R	79.8	Confident	80.9	Confident	218 Å²	218	66.3 Å²	66.3	82%	0.823	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-34.7	177.6	-65.1	-176.8	-178.3	-179.4	0.5	112.8	N244	N244-R246 PolarHBondContact O-N 2.86Å; N244-R246 VanDerWaalsContact O-N 3.11Å
247	T	76.6	Confident	80.7	Confident	10 Å²	10	61 Å²	61	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-76	-41.3	177.9	-44.4	0	0	0	0	110.6	L178 E241 M242 N244 F245 V249 K250 L251	L178-T247 HydrophobicContact CB-CG2 4.5Å; L178-T247 HydrophobicContact CD2-CG2 3.69Å; E241-T247 WeakPolarHBondContact O-CB 3.47Å; E241-T247 PolarHBondContact O-OG1 2.93Å; M242-T247 HydrophobicContact CG-CG2 4.28Å; N244-T247 WeakPolarHBondContact O-CA 3.24Å; N244-T247 WeakPolarHBondContact O-CB 3.46Å; N244-T247 PolarHBondContact O-N 3.1Å; F245-T247 VanDerWaalsContact C-N 3.28Å; F245-T247 PolarHBondContact O-N 3.35Å; T247-V249 VanDerWaalsContact C-N 3.3Å; T247-V249 PolarHBondContact O-N 3.16Å; T247-K250 PolarHBondContact O-N 3.4Å; T247-L251 PolarHBondContact O-N 2.62Å
248	V	76.7	Confident	80.3	Confident	68 Å²	68	62.2 Å²	62.2	41%	0.412	31%	0.307	S	S	.	.	H	α-helix	trans	-57.7	-42	178.8	175.5	0	0	0	0	111.9	M242 N244 F245 K250 L251	M242-V248 WeakPolarHBondContact O-CG2 3.17Å; N244-V248 PolarHBondContact O-N 3.47Å; N244-V248 VanDerWaalsContact O-N 3.13Å; F245-V248 PolarHBondContact O-N 3.42Å; V248-K250 PolarHBondContact O-N 3.27Å; V248-K250 VanDerWaalsContact O-N 3.16Å; V248-L251 HydrophobicContact CB-CD1 4.43Å; V248-L251 HydrophobicContact CG1-CD1 4.34Å; V248-L251 WeakPolarHBondContact O-CB 3.36Å; V248-L251 PolarHBondContact O-N 2.95Å
249	V	84	Confident	79.9	Confident	55 Å²	55	66.7 Å²	66.7	33%	0.333	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.6	178.3	171.3	0	0	0	0	112.7	Y49 F245 T247	Y49-V249 HydrophobicContact CE1-CG1 4.12Å; Y49-V249 WeakPolarHBondContact CE1-O 3.43Å; Y49-V249 WeakPolarHBondContact OH-CG1 3.43Å; Y49-V249 PolarHBondContact OH-O 2.91Å; F245-V249 HydrophobicContact CD1-CG2 4.4Å; F245-V249 HydrophobicContact CE1-CG2 3.98Å; F245-V249 HydrophobicContact CE2-CG2 4.31Å; F245-V249 HydrophobicContact CZ-CG2 3.93Å; F245-V249 WeakPolarHBondContact O-CG2 3.4Å; F245-V249 PolarHBondContact O-N 3.05Å; T247-V249 VanDerWaalsContact C-N 3.3Å; T247-V249 PolarHBondContact O-N 3.16Å
250	K	82	Confident	79.8	Confident	54 Å²	54	66 Å²	66	24%	0.235	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.2	-179.8	-60.9	-176.4	179.1	-177.6	0	114.6	E177 T247 V248 P252 K253 V254	E177-K250 WeakPolarHBondContact O-CD 3.26Å; E177-K250 PolarHBondContact O-NZ 2.7Å; T247-K250 PolarHBondContact O-N 3.4Å; V248-K250 PolarHBondContact O-N 3.27Å; V248-K250 VanDerWaalsContact O-N 3.16Å; K250-P252 VanDerWaalsContact C-N 3.31Å; K250-K253 PolarHBondContact O-N 2.84Å; K250-K253 VanDerWaalsContact O-N 3.09Å; K250-V254 PolarHBondContact O-N 3.22Å; K250-V254 VanDerWaalsContact O-N 3.11Å
251	L	79.4	Confident	79.6	Confident	68 Å²	68	59 Å²	59	36%	0.356	29%	0.294	S	S	.	.	H	α-helix	trans	-53.2	-38.4	-176.4	-69.5	176.1	0	0	0	114.2	L178 T247 V248 K253 V254 A255	L178-L251 HydrophobicContact CD2-CD2 4.05Å; T247-L251 PolarHBondContact O-N 2.62Å; V248-L251 HydrophobicContact CB-CD1 4.43Å; V248-L251 HydrophobicContact CG1-CD1 4.34Å; V248-L251 WeakPolarHBondContact O-CB 3.36Å; V248-L251 PolarHBondContact O-N 2.95Å; L251-K253 PolarHBondContact O-N 2.71Å; L251-V254 PolarHBondContact O-N 2.68Å; L251-A255 WeakPolarHBondContact O-CB 3.18Å; L251-A255 PolarHBondContact O-N 2.95Å
252	P	82.4	Confident	79.6	Confident	21 Å²	21	58.5 Å²	58.5	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-45.7	176.9	-25.8	35.7	0	0	0	112.9	I50 Y54 K250 V254 A255 G256	I50-P252 HydrophobicContact CB-CB 4.45Å; I50-P252 HydrophobicContact CB-CG 4.27Å; I50-P252 HydrophobicContact CG1-CG 3.93Å; I50-P252 HydrophobicContact CG2-CB 4.09Å; I50-P252 HydrophobicContact CG2-CG 4.12Å; Y54-P252 VanDerWaalsContact CA-O 3.31Å; Y54-P252 WeakPolarHBondContact CA-O 3.23Å; K250-P252 VanDerWaalsContact C-N 3.31Å; P252-V254 VanDerWaalsContact C-N 3.33Å; P252-V254 PolarHBondContact O-N 2.8Å; P252-A255 PolarHBondContact O-N 3.38Å; P252-G256 PolarHBondContact O-N 3.17Å; P252-G256 VanDerWaalsContact O-N 3.07Å
253	K	83.2	Confident	80.1	Confident	54 Å²	54	55.7 Å²	55.7	24%	0.235	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-40	177.8	-176.8	171.9	170.6	-156.7	0	111.6	S53 G57 E177 K250 L251 G256 I257	S53-K253 VanDerWaalsContact O-CA 3.23Å; S53-K253 WeakPolarHBondContact O-CA 3.34Å; S53-K253 WeakPolarHBondContact O-CB 3.09Å; G57-K253 WeakPolarHBondContact CA-O 3.47Å; E177-K253 VanDerWaalsContact CD-CE 3.42Å; E177-K253 HydrophobicContact CG-CD 4.33Å; E177-K253 HydrophobicContact CG-CG 4.41Å; E177-K253 VanDerWaalsContact OE1-CD 3.29Å; E177-K253 WeakPolarHBondContact OE1-CD 3.38Å; E177-K253 WeakPolarHBondContact OE1-CE 3.27Å; E177-K253 IonicContact OE1-NZ 2.8Å; E177-K253 PolarHBondContact OE1-NZ 2.88Å; E177-K253 VanDerWaalsContact OE2-CE 3.27Å; E177-K253 WeakPolarHBondContact OE2-CE 3.29Å; E177-K253 IonicContact OE2-NZ 2.76Å; E177-K253 PolarHBondContact OE2-NZ 2.72Å; K250-K253 PolarHBondContact O-N 2.84Å; K250-K253 VanDerWaalsContact O-N 3.09Å; L251-K253 PolarHBondContact O-N 2.71Å; K253-G256 WeakPolarHBondContact O-CA 3.39Å; K253-G256 PolarHBondContact O-N 3.35Å; K253-G256 VanDerWaalsContact O-N 3.15Å; K253-I257 HydrophobicContact CG-CD1 4.49Å; K253-I257 WeakPolarHBondContact O-CG1 3.15Å; K253-I257 PolarHBondContact O-N 2.9Å
254	V	81.8	Confident	80.8	Confident	7 Å²	7	51.6 Å²	51.6	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-42.9	176.3	168.5	0	0	0	0	111.7	M174 E177 L178 K250 L251 P252 G256 I257 L258	M174-V254 HydrophobicContact CG-CG1 3.75Å; M174-V254 HydrophobicContact SD-CG1 4.13Å; E177-V254 HydrophobicContact CB-CG2 4.28Å; E177-V254 HydrophobicContact CG-CG2 3.9Å; L178-V254 HydrophobicContact CD1-CG1 4.18Å; L178-V254 HydrophobicContact CD2-CB 4.18Å; L178-V254 HydrophobicContact CD2-CG1 4.12Å; L178-V254 HydrophobicContact CD2-CG2 3.55Å; L178-V254 HydrophobicContact CG-CB 4.37Å; L178-V254 HydrophobicContact CG-CG1 4.06Å; L178-V254 HydrophobicContact CG-CG2 3.58Å; K250-V254 PolarHBondContact O-N 3.22Å; K250-V254 VanDerWaalsContact O-N 3.11Å; L251-V254 PolarHBondContact O-N 2.68Å; P252-V254 VanDerWaalsContact C-N 3.33Å; P252-V254 PolarHBondContact O-N 2.8Å; V254-G256 PolarHBondContact O-N 2.82Å; V254-I257 PolarHBondContact O-N 3.24Å; V254-I257 VanDerWaalsContact O-N 3.14Å; V254-L258 HydrophobicContact CG1-CD1 4.24Å; V254-L258 HydrophobicContact CG1-CG 4.34Å; V254-L258 WeakPolarHBondContact O-CB 3.27Å; V254-L258 WeakPolarHBondContact O-CG 3.22Å; V254-L258 PolarHBondContact O-N 3.34Å
255	A	81.1	Confident	81.3	Confident	43 Å²	43	50.1 Å²	50.1	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-59.3	-37.5	173.4	0	0	0	0	0	111.6	Y54 L251 P252 R259	Y54-A255 HydrophobicContact CD2-CB 4.07Å; Y54-A255 HydrophobicContact CE2-CB 4.18Å; L251-A255 WeakPolarHBondContact O-CB 3.18Å; L251-A255 PolarHBondContact O-N 2.95Å; P252-A255 PolarHBondContact O-N 3.38Å; A255-R259 PolarHBondContact O-N 3.4Å
256	G	81.2	Confident	82.1	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-44.1	172.5	0	0	0	0	0	113.4	G57 V58 P252 K253 V254 R259	G57-G256 CarbonylContact C-O 3.56Å; G57-G256 CarbonylContact O-C 3.57Å; V58-G256 WeakPolarHBondContact CA-O 3.43Å; V58-G256 PolarHBondContact N-O 3.48Å; P252-G256 PolarHBondContact O-N 3.17Å; P252-G256 VanDerWaalsContact O-N 3.07Å; K253-G256 WeakPolarHBondContact O-CA 3.39Å; K253-G256 PolarHBondContact O-N 3.35Å; K253-G256 VanDerWaalsContact O-N 3.15Å; V254-G256 PolarHBondContact O-N 2.82Å; G256-R259 WeakPolarHBondContact O-CB 3.28Å; G256-R259 PolarHBondContact O-N 2.83Å
257	I	81.8	Confident	82.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-51.4	174.8	-67	171.1	0	0	0	109.7	Y60 E177 K253 V254 R259 G260 Y261	Y60-I257 HydrophobicContact CD1-CD1 4.26Å; Y60-I257 HydrophobicContact CD1-CG1 4.05Å; E177-I257 HydrophobicContact CB-CD1 3.86Å; E177-I257 HydrophobicContact CG-CD1 3.83Å; K253-I257 HydrophobicContact CG-CD1 4.49Å; K253-I257 WeakPolarHBondContact O-CG1 3.15Å; K253-I257 PolarHBondContact O-N 2.9Å; V254-I257 PolarHBondContact O-N 3.24Å; V254-I257 VanDerWaalsContact O-N 3.14Å; I257-R259 PolarHBondContact O-N 2.81Å; I257-G260 PolarHBondContact O-N 3.02Å; I257-Y261 HydrophobicContact CG2-CD2 3.71Å; I257-Y261 HydrophobicContact CG2-CE2 4Å; I257-Y261 WeakPolarHBondContact O-CD2 3.37Å; I257-Y261 PolarHBondContact O-N 2.74Å
258	L	80.6	Confident	82.4	Confident	51 Å²	51	38.7 Å²	38.7	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-55.6	-38.8	179	-74.5	-178.7	0	0	0	112	M174 V254 G260 Y261 V262	M174-L258 HydrophobicContact CB-CD2 4.43Å; M174-L258 HydrophobicContact CG-CD2 4.39Å; M174-L258 HydrophobicContact SD-CD1 4.01Å; M174-L258 HydrophobicContact SD-CD2 3.5Å; M174-L258 VanDerWaalsContact SD-CD2 3.5Å; M174-L258 HydrophobicContact SD-CG 3.99Å; V254-L258 HydrophobicContact CG1-CD1 4.24Å; V254-L258 HydrophobicContact CG1-CG 4.34Å; V254-L258 WeakPolarHBondContact O-CB 3.27Å; V254-L258 WeakPolarHBondContact O-CG 3.22Å; V254-L258 PolarHBondContact O-N 3.34Å; L258-G260 PolarHBondContact O-N 2.86Å; L258-Y261 PolarHBondContact O-N 3.33Å; L258-Y261 VanDerWaalsContact O-N 3.12Å; L258-V262 HydrophobicContact CB-CG2 4.16Å; L258-V262 HydrophobicContact CD2-CG2 3.65Å; L258-V262 HydrophobicContact CG-CG2 4.49Å; L258-V262 WeakPolarHBondContact O-CA 3.22Å; L258-V262 VanDerWaalsContact O-CB 3.24Å; L258-V262 WeakPolarHBondContact O-CB 3.47Å; L258-V262 WeakPolarHBondContact O-CG2 3.37Å; L258-V262 PolarHBondContact O-N 3.22Å
259	R	79.4	Confident	82.5	Confident	111 Å²	111	38.9 Å²	38.9	42%	0.419	22%	0.217	S	C	.	.	H	α-helix	trans	-57.5	-32.8	178.8	-176.2	54.8	170.9	-165.4	-11.1	113.3	V58 A255 G256 I257 D268	V58-R259 HydrophobicContact CG2-CB 4.46Å; A255-R259 PolarHBondContact O-N 3.4Å; G256-R259 WeakPolarHBondContact O-CB 3.28Å; G256-R259 PolarHBondContact O-N 2.83Å; I257-R259 PolarHBondContact O-N 2.81Å; R259-D268 IonicContact CZ-OD1 2.76Å; R259-D268 IonicContact CZ-OD2 2.63Å; R259-D268 IonicContact NE-OD1 3.68Å; R259-D268 IonicContact NH1-OD1 2.86Å; R259-D268 PolarHBondContact NH1-OD1 3.19Å; R259-D268 IonicContact NH1-OD2 3.97Å; R259-D268 IonicContact NH2-OD1 3.11Å; R259-D268 PolarHBondContact NH2-OD1 3.4Å; R259-D268 IonicContact NH2-OD2 2.7Å; R259-D268 PolarHBondContact NH2-OD2 2.89Å; R259-D268 VanDerWaalsContact NH2-OD2 3.11Å
260	G	78.7	Confident	82.5	Confident	19 Å²	19	37 Å²	37	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-93.2	-10.9	178.5	0	0	0	0	0	115	A65 V68 I257 L258	A65-G260 WeakPolarHBondContact CB-O 3.45Å; V68-G260 WeakPolarHBondContact CG2-O 3.47Å; I257-G260 PolarHBondContact O-N 3.02Å; L258-G260 PolarHBondContact O-N 2.86Å
261	Y	80.2	Confident	82.4	Confident	10 Å²	10	38.5 Å²	38.5	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-115.1	-15.6	-179.2	-76.4	-74.8	0	0	0	114.9	A61 H64 A65 D167 T169 G170 I257 L258	A61-Y261 HydrophobicContact CB-CD2 4.05Å; A61-Y261 HydrophobicContact CB-CE2 3.99Å; H64-Y261 WeakPolarHBondContact CB-OH 3.33Å; H64-Y261 PolarHBondContact O-OH 3.34Å; A65-Y261 HydrophobicContact CB-CD1 4.12Å; A65-Y261 HydrophobicContact CB-CE1 3.91Å; A65-Y261 HydrophobicContact CB-CE2 4.49Å; D167-Y261 PolarHBondContact N-O 2.69Å; T169-Y261 HydrophobicContact CG2-CE1 4.14Å; G170-Y261 VanDerWaalsContact CA-CD1 3.44Å; I257-Y261 HydrophobicContact CG2-CD2 3.71Å; I257-Y261 HydrophobicContact CG2-CE2 4Å; I257-Y261 WeakPolarHBondContact O-CD2 3.37Å; I257-Y261 PolarHBondContact O-N 2.74Å; L258-Y261 PolarHBondContact O-N 3.33Å; L258-Y261 VanDerWaalsContact O-N 3.12Å
262	V	83.9	Confident	82.3	Confident	22 Å²	22	41.9 Å²	41.9	13%	0.133	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.1	177.4	-178.8	0	0	0	0	108.8	A164 V165 V166 L258 T264	A164-V262 HydrophobicContact CB-CG1 3.83Å; V165-V262 WeakPolarHBondContact O-CA 3.32Å; V166-V262 HydrophobicContact CG2-CG2 4.17Å; L258-V262 HydrophobicContact CB-CG2 4.16Å; L258-V262 HydrophobicContact CD2-CG2 3.65Å; L258-V262 HydrophobicContact CG-CG2 4.49Å; L258-V262 WeakPolarHBondContact O-CA 3.22Å; L258-V262 VanDerWaalsContact O-CB 3.24Å; L258-V262 WeakPolarHBondContact O-CB 3.47Å; L258-V262 WeakPolarHBondContact O-CG2 3.37Å; L258-V262 PolarHBondContact O-N 3.22Å; V262-T264 HydrophobicContact CG1-CG2 4.32Å
263	N	85.9	Confident	82.2	Confident	14 Å²	14	46.6 Å²	46.6	8%	0.075	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.3	169.1	-167	-33.7	0	0	0	109	V68 K69 V70 H71 Y163 A164 V165	V68-N263 VanDerWaalsContact CG1-CA 3.48Å; V68-N263 HydrophobicContact CG1-CB 3.38Å; K69-N263 PolarHBondContact O-ND2 2.96Å; V70-N263 WeakPolarHBondContact CA-OD1 3.22Å; H71-N263 PolarHBondContact CD2-ND2 3.31Å; Y163-N263 HydrophobicContact CE2-CB 4.31Å; Y163-N263 WeakPolarHBondContact CE2-O 3.43Å; Y163-N263 WeakPolarHBondContact CE2-OD1 3.4Å; Y163-N263 PolarHBondContact OH-OD1 2.96Å; A164-N263 CarbonylContact C-O 3.56Å; A164-N263 WeakPolarHBondContact CA-O 3.2Å; V165-N263 HydrophobicContact CB-CB 3.97Å; V165-N263 HydrophobicContact CG2-CB 4.34Å; V165-N263 PolarHBondContact N-O 2.8Å; V165-N263 PolarHBondContact O-N 3Å
264	T	88.4	Confident	82	Confident	17 Å²	17	45 Å²	45	10%	0.104	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.3	-176.9	-175.7	0	0	0	0	112	Y163 V262 I266	Y163-T264 WeakPolarHBondContact O-CA 3.38Å; Y163-T264 VanDerWaalsContact O-CB 3.24Å; Y163-T264 WeakPolarHBondContact O-CB 3.29Å; Y163-T264 PolarHBondContact O-OG1 3.29Å; V262-T264 HydrophobicContact CG1-CG2 4.32Å; T264-I266 WeakPolarHBondContact OG1-CB 3.17Å; T264-I266 WeakPolarHBondContact OG1-CD1 3.35Å; T264-I266 WeakPolarHBondContact OG1-CG1 3.2Å; T264-I266 PolarHBondContact OG1-N 3.28Å
265	N	88.8	Confident	81.9	Confident	45 Å²	45	46.7 Å²	46.7	24%	0.241	26%	0.264	C	S	.	.			trans	-96	4.2	166.9	73	-38.4	0	0	0	112.7	Y162 Y163 P267	Y162-N265 VanDerWaalsContact CA-OD1 3.25Å; Y162-N265 WeakPolarHBondContact CA-OD1 3.3Å; Y162-N265 WeakPolarHBondContact CB-OD1 3.41Å; Y163-N265 HydrophobicContact CD1-CB 4.15Å; Y163-N265 VanDerWaalsContact CD1-OD1 3.27Å; Y163-N265 WeakPolarHBondContact CD1-OD1 3.4Å; Y163-N265 HydrophobicContact CE1-CB 3.75Å; Y163-N265 PolarHBondContact N-OD1 3.38Å; N265-P267 WeakPolarHBondContact O-CD 3.36Å
266	I	88.5	Confident	81.6	Confident	17 Å²	17	48.8 Å²	48.8	9%	0.087	27%	0.269	C	S	.	.			trans	-68.6	126	176.6	-54.4	162.1	0	0	0	108.1	I85 Y162 T264 I271	I85-I266 HydrophobicContact CD1-CD1 3.8Å; I85-I266 HydrophobicContact CG1-CD1 4.16Å; I85-I266 HydrophobicContact CG2-CD1 3.88Å; Y162-I266 VanDerWaalsContact CB-CG1 3.44Å; Y162-I266 HydrophobicContact CD1-CB 4.33Å; Y162-I266 HydrophobicContact CD1-CG1 3.99Å; Y162-I266 HydrophobicContact CG-CG1 3.75Å; T264-I266 WeakPolarHBondContact OG1-CB 3.17Å; T264-I266 WeakPolarHBondContact OG1-CD1 3.35Å; T264-I266 WeakPolarHBondContact OG1-CG1 3.2Å; T264-I266 PolarHBondContact OG1-N 3.28Å; I266-I271 HydrophobicContact CB-CD1 4.4Å; I266-I271 HydrophobicContact CB-CG1 4.01Å; I266-I271 HydrophobicContact CG2-CD1 4.46Å; I266-I271 HydrophobicContact CG2-CG1 3.57Å
267	P	84.7	Confident	81.5	Confident	58 Å²	58	49.6 Å²	49.6	38%	0.377	28%	0.275	S	S	.	.			trans	-60.8	145.5	172	-22	33.1	0	0	0	111.2	N265 S269 G270 I271	N265-P267 WeakPolarHBondContact O-CD 3.36Å; P267-S269 PolarHBondContact O-N 2.9Å; P267-S269 VanDerWaalsContact O-N 3.15Å; P267-G270 WeakPolarHBondContact O-CA 3.36Å; P267-G270 PolarHBondContact O-N 3.47Å; P267-I271 PolarHBondContact O-N 3.32Å
268	D	78.9	Confident	81.2	Confident	79 Å²	79	51.3 Å²	51.3	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-33.8	179.9	-64.3	-20.5	0	0	0	112	R259 I271 F272	R259-D268 IonicContact CZ-OD1 2.76Å; R259-D268 IonicContact CZ-OD2 2.63Å; R259-D268 IonicContact NE-OD1 3.68Å; R259-D268 IonicContact NH1-OD1 2.86Å; R259-D268 PolarHBondContact NH1-OD1 3.19Å; R259-D268 IonicContact NH1-OD2 3.97Å; R259-D268 IonicContact NH2-OD1 3.11Å; R259-D268 PolarHBondContact NH2-OD1 3.4Å; R259-D268 IonicContact NH2-OD2 2.7Å; R259-D268 PolarHBondContact NH2-OD2 2.89Å; R259-D268 VanDerWaalsContact NH2-OD2 3.11Å; D268-I271 PolarHBondContact O-N 3.11Å; D268-F272 WeakPolarHBondContact O-CB 3.36Å; D268-F272 PolarHBondContact O-N 2.87Å
269	S	77.7	Confident	80.8	Confident	71 Å²	71	51 Å²	51	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-39.9	171.6	55.1	0	0	0	0	112.7	P267 F272 Q273	P267-S269 PolarHBondContact O-N 2.9Å; P267-S269 VanDerWaalsContact O-N 3.15Å; S269-F272 PolarHBondContact O-N 3.22Å; S269-Q273 VanDerWaalsContact O-CB 3.31Å; S269-Q273 WeakPolarHBondContact O-CB 3.43Å; S269-Q273 VanDerWaalsContact O-CG 3.23Å; S269-Q273 WeakPolarHBondContact O-CG 3.38Å; S269-Q273 PolarHBondContact O-N 2.78Å
270	G	83.1	Confident	80.5	Confident	15 Å²	15	51.6 Å²	51.6	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-42.2	176.5	0	0	0	0	0	112.3	P267 T274	P267-G270 WeakPolarHBondContact O-CA 3.36Å; P267-G270 PolarHBondContact O-N 3.47Å; G270-T274 VanDerWaalsContact O-CB 3.25Å; G270-T274 WeakPolarHBondContact O-CB 3.29Å; G270-T274 PolarHBondContact O-N 3.23Å; G270-T274 PolarHBondContact O-OG1 3.35Å
271	I	80.8	Confident	80.1	Confident	86 Å²	86	59.1 Å²	59.1	44%	0.441	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-49.2	173.8	-61.8	176.2	0	0	0	109.8	I266 P267 D268 G275	I266-I271 HydrophobicContact CB-CD1 4.4Å; I266-I271 HydrophobicContact CB-CG1 4.01Å; I266-I271 HydrophobicContact CG2-CD1 4.46Å; I266-I271 HydrophobicContact CG2-CG1 3.57Å; P267-I271 PolarHBondContact O-N 3.32Å; D268-I271 PolarHBondContact O-N 3.11Å; I271-G275 PolarHBondContact O-N 2.94Å
272	F	76.9	Confident	79.7	Confident	139 Å²	139	58.9 Å²	58.9	61%	0.61	33%	0.325	S	S	*	.	H	α-helix	trans	-64.6	-48.1	-178.7	-176.4	-98.6	0	0	0	112.5	D268 S269 T274 G275 L276	D268-F272 WeakPolarHBondContact O-CB 3.36Å; D268-F272 PolarHBondContact O-N 2.87Å; S269-F272 PolarHBondContact O-N 3.22Å; F272-T274 PolarHBondContact O-N 3.3Å; F272-G275 PolarHBondContact O-N 3.16Å; F272-L276 HydrophobicContact CE1-CD2 4.12Å; F272-L276 HydrophobicContact CZ-CD2 4.46Å; F272-L276 VanDerWaalsContact O-CB 3.27Å; F272-L276 WeakPolarHBondContact O-CB 3.47Å; F272-L276 PolarHBondContact O-N 3Å
273	Q	79.6	Confident	79.1	Confident	121 Å²	121	62.1 Å²	62.1	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-62	-44.6	179.5	-75.4	179.1	12.1	0	0	112	S269 L276 S277	S269-Q273 VanDerWaalsContact O-CB 3.31Å; S269-Q273 WeakPolarHBondContact O-CB 3.43Å; S269-Q273 VanDerWaalsContact O-CG 3.23Å; S269-Q273 WeakPolarHBondContact O-CG 3.38Å; S269-Q273 PolarHBondContact O-N 2.78Å; Q273-L276 PolarHBondContact O-N 2.86Å; Q273-S277 WeakPolarHBondContact O-CB 3.27Å; Q273-S277 PolarHBondContact O-N 3.2Å
274	T	81	Confident	78.4	Confident	19 Å²	19	67.1 Å²	67.1	12%	0.117	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-47.9	177.4	-53.2	0	0	0	0	110.6	I83 Y108 F110 G270 F272 L276 S277 F278	I83-T274 HydrophobicContact CG2-CG2 4.45Å; Y108-T274 HydrophobicContact CD1-CG2 3.83Å; Y108-T274 HydrophobicContact CG-CG2 4.13Å; F110-T274 HydrophobicContact CZ-CG2 4.49Å; G270-T274 VanDerWaalsContact O-CB 3.25Å; G270-T274 WeakPolarHBondContact O-CB 3.29Å; G270-T274 PolarHBondContact O-N 3.23Å; G270-T274 PolarHBondContact O-OG1 3.35Å; F272-T274 PolarHBondContact O-N 3.3Å; T274-L276 PolarHBondContact O-N 3.33Å; T274-S277 PolarHBondContact O-N 2.87Å; T274-F278 WeakPolarHBondContact O-CB 3.36Å; T274-F278 PolarHBondContact O-N 3.28Å
275	G	77.7	Confident	78	Confident	44 Å²	44	71.7 Å²	71.7	45%	0.454	38%	0.384	S	S	.	.	H	α-helix	trans	-60.4	-43.1	178.2	0	0	0	0	0	112.9	I271 F272 G279	I271-G275 PolarHBondContact O-N 2.94Å; F272-G275 PolarHBondContact O-N 3.16Å; G275-G279 PolarHBondContact O-N 3.39Å
276	L	75.4	Confident	77.7	Confident	86 Å²	86	70.4 Å²	70.4	45%	0.45	38%	0.378	S	S	.	.	H	α-helix	trans	-67.5	-45.3	178	-167.5	71.1	0	0	0	111.8	F272 Q273 T274 G279 I280	F272-L276 HydrophobicContact CE1-CD2 4.12Å; F272-L276 HydrophobicContact CZ-CD2 4.46Å; F272-L276 VanDerWaalsContact O-CB 3.27Å; F272-L276 WeakPolarHBondContact O-CB 3.47Å; F272-L276 PolarHBondContact O-N 3Å; Q273-L276 PolarHBondContact O-N 2.86Å; T274-L276 PolarHBondContact O-N 3.33Å; L276-G279 PolarHBondContact O-N 3.1Å; L276-I280 HydrophobicContact CD1-CD1 3.61Å; L276-I280 HydrophobicContact CD1-CG1 4.28Å; L276-I280 HydrophobicContact CG-CD1 3.78Å; L276-I280 WeakPolarHBondContact O-CB 3.36Å; L276-I280 WeakPolarHBondContact O-CG1 3.4Å; L276-I280 PolarHBondContact O-N 3.27Å
277	S	78.7	Confident	77.7	Confident	18 Å²	18	72.9 Å²	72.9	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-61.9	-46.9	178.2	-175	0	0	0	0	111.1	Y108 K113 Q273 T274 R281 G282	Y108-S277 VanDerWaalsContact OH-C 3.27Å; Y108-S277 WeakPolarHBondContact OH-CB 3.24Å; Y108-S277 PolarHBondContact OH-O 3.11Å; Y108-S277 PolarHBondContact OH-OG 2.93Å; K113-S277 PolarHBondContact NZ-OG 3.25Å; Q273-S277 WeakPolarHBondContact O-CB 3.27Å; Q273-S277 PolarHBondContact O-N 3.2Å; T274-S277 PolarHBondContact O-N 2.87Å; S277-R281 CarbonylContact O-C 3.57Å; S277-R281 WeakPolarHBondContact O-CA 3.45Å; S277-R281 PolarHBondContact O-N 3.1Å; S277-G282 PolarHBondContact O-N 2.92Å; S277-G282 VanDerWaalsContact O-N 3.11Å
278	F	76.2	Confident	78.1	Confident	36 Å²	36	72.3 Å²	72.3	16%	0.158	39%	0.385	C	S	.	.	H	α-helix	trans	-68.2	-40.8	178.5	-180	-105.2	0	0	0	112.7	Y108 M115 T274 G282 K284	Y108-F278 HydrophobicContact CD2-CD2 4.26Å; Y108-F278 HydrophobicContact CE2-CB 4.02Å; Y108-F278 AromaticContact CE2-CD2 3.83Å; Y108-F278 HydrophobicContact CE2-CD2 3.83Å; Y108-F278 HydrophobicContact CE2-CG 4.42Å; Y108-F278 PolarHBondContact OH-N 3.46Å; M115-F278 HydrophobicContact CB-CD2 4.33Å; M115-F278 HydrophobicContact CB-CE2 3.94Å; M115-F278 HydrophobicContact CE-CD1 4.22Å; M115-F278 HydrophobicContact CE-CD2 3.74Å; M115-F278 HydrophobicContact CE-CE1 4.28Å; M115-F278 HydrophobicContact CE-CE2 3.82Å; M115-F278 HydrophobicContact CE-CG 3.94Å; M115-F278 HydrophobicContact CE-CZ 4.08Å; M115-F278 HydrophobicContact SD-CE2 4.15Å; M115-F278 HydrophobicContact SD-CZ 4.23Å; T274-F278 WeakPolarHBondContact O-CB 3.36Å; T274-F278 PolarHBondContact O-N 3.28Å; F278-G282 VanDerWaalsContact O-CA 3.26Å; F278-G282 WeakPolarHBondContact O-CA 3.23Å; F278-G282 PolarHBondContact O-N 3.45Å; F278-K284 PolarHBondContact O-NZ 2.93Å; F278-K284 VanDerWaalsContact O-NZ 3.16Å
279	G	73.2	Confident	78.8	Confident	45 Å²	45	70 Å²	70	46%	0.464	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-52.3	178.5	0	0	0	0	0	112.3	G275 L276 K284	G275-G279 PolarHBondContact O-N 3.39Å; L276-G279 PolarHBondContact O-N 3.1Å; G279-K284 PolarHBondContact O-NZ 3.42Å
280	I	73	Confident	79.5	Confident	123 Å²	123	68 Å²	68	63%	0.631	36%	0.357	S	S	*	.	H	α-helix	trans	-80.4	-44.2	-174.1	-59.8	177.8	0	0	0	112.3	L276	L276-I280 HydrophobicContact CD1-CD1 3.61Å; L276-I280 HydrophobicContact CD1-CG1 4.28Å; L276-I280 HydrophobicContact CG-CD1 3.78Å; L276-I280 WeakPolarHBondContact O-CB 3.36Å; L276-I280 WeakPolarHBondContact O-CG1 3.4Å; L276-I280 PolarHBondContact O-N 3.27Å
281	R	70.4	Confident	80.1	Confident	176 Å²	176	67.3 Å²	67.3	66%	0.664	35%	0.35	S	S	*	.	H	α-helix	trans	-121.6	-10.6	-167.6	-58.3	-175.7	-176.6	169.5	2.6	114.3	K113 S277	K113-R281 HydrophobicContact CD-CB 4.3Å; K113-R281 HydrophobicContact CG-CB 4.32Å; S277-R281 CarbonylContact O-C 3.57Å; S277-R281 WeakPolarHBondContact O-CA 3.45Å; S277-R281 PolarHBondContact O-N 3.1Å
282	G	71.7	Confident	80.8	Confident	6 Å²	6	63.2 Å²	63.2	6%	0.062	33%	0.329	C	S	.	.			trans	-66.1	134.5	-174.4	0	0	0	0	0	112.1	K113 S277 F278 K284	K113-G282 WeakPolarHBondContact O-CA 3.3Å; S277-G282 PolarHBondContact O-N 2.92Å; S277-G282 VanDerWaalsContact O-N 3.11Å; F278-G282 VanDerWaalsContact O-CA 3.26Å; F278-G282 WeakPolarHBondContact O-CA 3.23Å; F278-G282 PolarHBondContact O-N 3.45Å; G282-K284 WeakPolarHBondContact O-CD 3.22Å; G282-K284 WeakPolarHBondContact O-CE 3.35Å; G282-K284 PolarHBondContact O-N 3Å
283	E	70.6	Confident	81.6	Confident	90 Å²	90	58.6 Å²	58.6	42%	0.421	31%	0.311	S	S	.	.			trans	-56.3	135.7	169.2	-75.3	-170.9	-174.4	0	0	110.1	K113 K114 D285	K113-E283 PolarHBondContact O-N 3.31Å; K114-E283 WeakPolarHBondContact CD-OE2 3.42Å; K114-E283 VanDerWaalsContact CE-CD 3.41Å; K114-E283 WeakPolarHBondContact CE-OE1 3.32Å; K114-E283 WeakPolarHBondContact CE-OE2 3.5Å; K114-E283 HydrophobicContact CG-CB 4.43Å; K114-E283 HydrophobicContact CG-CG 4.27Å; K114-E283 WeakPolarHBondContact CG-OE2 3.26Å; E283-D285 VanDerWaalsContact C-N 3.28Å; E283-D285 PolarHBondContact O-N 3.43Å
284	K	71.9	Confident	82.1	Confident	118 Å²	118	59.9 Å²	59.9	51%	0.513	31%	0.314	S	S	.	.	S	Bend	trans	-87.2	1.8	-175.4	-55.6	-54.9	179.9	-164.5	0	112.7	K239 F278 G279 G282	K239-K284 WeakPolarHBondContact CE-O 3.28Å; K239-K284 PolarHBondContact NZ-O 2.79Å; F278-K284 PolarHBondContact O-NZ 2.93Å; F278-K284 VanDerWaalsContact O-NZ 3.16Å; G279-K284 PolarHBondContact O-NZ 3.42Å; G282-K284 WeakPolarHBondContact O-CD 3.22Å; G282-K284 WeakPolarHBondContact O-CE 3.35Å; G282-K284 PolarHBondContact O-N 3Å
285	D	79.4	Confident	82.5	Confident	114 Å²	114	66.8 Å²	66.8	61%	0.61	35%	0.35	S	S	*	.			trans	-95.2	134.6	163.1	-163.8	13.6	0	0	0	110.1	E283	E283-D285 VanDerWaalsContact C-N 3.28Å; E283-D285 PolarHBondContact O-N 3.43Å
286	V	82.6	Confident	83.3	Confident	18 Å²	18	65.1 Å²	65.1	11%	0.109	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	109.7	176.8	172	0	0	0	0	107	M115 M117 K239	M115-V286 HydrophobicContact CB-CG2 4.04Å; M115-V286 HydrophobicContact CG-CG1 4.21Å; M115-V286 HydrophobicContact CG-CG2 4.22Å; M115-V286 HydrophobicContact SD-CG2 4.08Å; M117-V286 HydrophobicContact CB-CG1 4.42Å; M117-V286 HydrophobicContact CE-CB 4.33Å; M117-V286 HydrophobicContact CE-CG1 3.35Å; M117-V286 HydrophobicContact CG-CG1 3.66Å; M117-V286 HydrophobicContact SD-CG1 3.94Å; K239-V286 HydrophobicContact CD-CG2 4.34Å
287	K	88.9	Confident	84.2	Confident	68 Å²	68	64 Å²	64	30%	0.296	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142	174.6	-69.5	-173.4	172.6	-177.7	0	109.4	M115 K116 M117 F323 E326	M115-K287 PolarHBondContact O-N 2.82Å; K116-K287 WeakPolarHBondContact CA-O 3.27Å; K116-K287 HydrophobicContact CG-CB 4.42Å; M117-K287 PolarHBondContact N-O 3.43Å; K287-F323 HydrophobicContact CB-CE2 3.85Å; K287-F323 HydrophobicContact CB-CZ 4.15Å; K287-E326 IonicContact NZ-OE1 3.6Å; K287-E326 PolarHBondContact NZ-OE1 2.83Å; K287-E326 IonicContact NZ-OE2 2.89Å; K287-E326 PolarHBondContact NZ-OE2 2.82Å
288	S	91.5	Very high	85	Confident	47 Å²	47	70 Å²	70	33%	0.329	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.6	179.8	68.2	0	0	0	0	112.5	M117 Q232	M117-S288 CarbonylContact O-C 3.54Å; M117-S288 WeakPolarHBondContact O-CA 3.24Å; Q232-S288 PolarHBondContact NE2-OG 2.94Å
289	L	93.8	Very high	85.7	Confident	30 Å²	30	73.9 Å²	73.9	16%	0.157	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.8	175.1	-169.1	69.7	0	0	0	109.4	M117 M118 S119 V291 I293 I320 F323	M117-L289 PolarHBondContact O-N 3.46Å; M118-L289 CarbonylContact C-O 3.58Å; M118-L289 VanDerWaalsContact CA-O 3.29Å; M118-L289 WeakPolarHBondContact CA-O 3.2Å; M118-L289 HydrophobicContact CG-CB 4.1Å; M118-L289 HydrophobicContact CG-CD2 4.47Å; M118-L289 HydrophobicContact SD-CD2 4.29Å; S119-L289 PolarHBondContact N-O 3.06Å; L289-V291 HydrophobicContact CD2-CG2 4.13Å; L289-V291 HydrophobicContact CG-CG2 4.41Å; L289-I293 HydrophobicContact CD1-CD1 3.59Å; L289-I293 HydrophobicContact CD2-CD1 4.2Å; L289-I293 HydrophobicContact CG-CD1 4.01Å; L289-I320 HydrophobicContact CD2-CG1 4.17Å; L289-F323 HydrophobicContact CB-CD1 4.03Å; L289-F323 HydrophobicContact CB-CD2 4Å; L289-F323 HydrophobicContact CB-CE1 3.99Å; L289-F323 HydrophobicContact CB-CE2 3.95Å; L289-F323 HydrophobicContact CB-CG 4.02Å; L289-F323 HydrophobicContact CB-CZ 3.95Å; L289-F323 HydrophobicContact CD1-CD2 4.49Å; L289-F323 HydrophobicContact CD2-CB 3.87Å; L289-F323 HydrophobicContact CD2-CD1 4.14Å; L289-F323 HydrophobicContact CD2-CG 3.94Å; L289-F323 HydrophobicContact CG-CG 4.43Å
290	T	94	Very high	86.7	Confident	29 Å²	29	73.6 Å²	73.6	18%	0.178	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.2	170.1	-58.2	0	0	0	0	108.8	M121 F225 V228 P292	M121-T290 HydrophobicContact CG-CG2 4.48Å; M121-T290 HydrophobicContact SD-CG2 4.22Å; F225-T290 HydrophobicContact CD1-CG2 3.96Å; F225-T290 HydrophobicContact CE1-CG2 3.78Å; V228-T290 HydrophobicContact CB-CG2 4.33Å; V228-T290 HydrophobicContact CG1-CG2 3.91Å; V228-T290 VanDerWaalsContact CG1-OG1 3.3Å; V228-T290 WeakPolarHBondContact CG1-OG1 3.38Å; V228-T290 HydrophobicContact CG2-CG2 4.34Å; T290-P292 CarbonylContact O-C 3.57Å
291	V	95	Very high	87.6	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.8	179.1	-177.3	0	0	0	0	108.8	S119 V120 M121 I124 L156 L289 I320	S119-V291 PolarHBondContact O-N 2.99Å; V120-V291 HydrophobicContact CG2-CB 4.39Å; M121-V291 WeakPolarHBondContact CB-O 3.47Å; M121-V291 WeakPolarHBondContact CG-O 3.32Å; M121-V291 PolarHBondContact N-O 2.85Å; I124-V291 HydrophobicContact CD1-CG1 4.17Å; L156-V291 HydrophobicContact CD1-CG1 4Å; L156-V291 HydrophobicContact CD2-CG1 3.87Å; L289-V291 HydrophobicContact CD2-CG2 4.13Å; L289-V291 HydrophobicContact CG-CG2 4.41Å; V291-I320 HydrophobicContact CG1-CD1 4Å; V291-I320 HydrophobicContact CG2-CD1 3.95Å; V291-I320 HydrophobicContact CG2-CG1 3.89Å
292	P	95.2	Very high	88.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.338	C	S	.	.	S	Bend	cis	-72.3	156.6	2.2	31	-36.1	0	0	0	113.8	M121 T290 Y297 L309 I311 N316	M121-P292 HydrophobicContact SD-CG 4.44Å; T290-P292 CarbonylContact O-C 3.57Å; P292-Y297 HydrophobicContact CB-CD1 3.86Å; P292-Y297 HydrophobicContact CB-CG 4.31Å; P292-Y297 HydrophobicContact CG-CD1 3.39Å; P292-Y297 HydrophobicContact CG-CE1 4.08Å; P292-Y297 HydrophobicContact CG-CG 3.71Å; P292-L309 HydrophobicContact CG-CD1 4.39Å; P292-I311 HydrophobicContact CB-CB 4.4Å; P292-I311 HydrophobicContact CB-CG2 3.68Å; P292-I311 HydrophobicContact CG-CG2 3.93Å; P292-N316 WeakPolarHBondContact CA-OD1 2.82Å; P292-N316 WeakPolarHBondContact CB-OD1 3.33Å
293	I	93.9	Very high	88.9	Confident	43 Å²	43	74.9 Å²	74.9	22%	0.221	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-60.5	142.3	171.7	-53.5	-60.5	0	0	0	108.8	L289 N295 S296 N316 A319	L289-I293 HydrophobicContact CD1-CD1 3.59Å; L289-I293 HydrophobicContact CD2-CD1 4.2Å; L289-I293 HydrophobicContact CG-CD1 4.01Å; I293-N295 PolarHBondContact O-N 2.81Å; I293-S296 PolarHBondContact N-OG 2.78Å; I293-S296 WeakPolarHBondContact O-CB 3.36Å; I293-S296 PolarHBondContact O-N 3.4Å; I293-S296 VanDerWaalsContact O-N 3.1Å; I293-S296 PolarHBondContact O-OG 3.49Å; I293-N316 PolarHBondContact N-OD1 2.87Å; I293-A319 HydrophobicContact CD1-CB 3.76Å; I293-A319 HydrophobicContact CG1-CB 3.6Å
294	K	89.6	Confident	89.3	Confident	148 Å²	148	74.9 Å²	74.9	64%	0.643	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	140.5	173.7	-93.2	-175.9	173.4	179.5	0	110.5	F225 S296	F225-K294 HydrophobicContact CE1-CG 4.03Å; F225-K294 HydrophobicContact CZ-CG 4.29Å; K294-S296 PolarHBondContact O-N 2.97Å
295	N	90.4	Very high	89.7	Confident	163 Å²	163	71.1 Å²	71.1	87%	0.872	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	20.9	-179.5	-46.7	-29.7	0	0	0	114.6	I293	I293-N295 PolarHBondContact O-N 2.81Å
296	S	94.6	Very high	90.2	Very high	9 Å²	9	67.3 Å²	67.3	6%	0.063	36%	0.36	C	S	.	.	S	Bend	trans	-118.5	20.3	176.1	76.5	0	0	0	0	113.2	I293 K294 N312 N316	I293-S296 PolarHBondContact N-OG 2.78Å; I293-S296 WeakPolarHBondContact O-CB 3.36Å; I293-S296 PolarHBondContact O-N 3.4Å; I293-S296 VanDerWaalsContact O-N 3.1Å; I293-S296 PolarHBondContact O-OG 3.49Å; K294-S296 PolarHBondContact O-N 2.97Å; S296-N312 PolarHBondContact O-N 2.74Å; S296-N316 PolarHBondContact O-ND2 2.88Å; S296-N316 PolarHBondContact OG-ND2 2.84Å; S296-N316 PolarHBondContact OG-OD1 3.13Å
297	Y	94.3	Very high	90.5	Very high	64 Å²	64	69.4 Å²	69.4	25%	0.251	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.9	-179.2	68.5	-88	0	0	0	111.4	F225 P292 L309 Q310	F225-Y297 AromaticContact CE2-CE1 3.87Å; F225-Y297 HydrophobicContact CE2-CE1 3.87Å; F225-Y297 AromaticContact CE2-CZ 3.69Å; F225-Y297 WeakPolarHBondContact CE2-OH 3.33Å; F225-Y297 AromaticContact CZ-CE1 3.68Å; F225-Y297 HydrophobicContact CZ-CE1 3.68Å; P292-Y297 HydrophobicContact CB-CD1 3.86Å; P292-Y297 HydrophobicContact CB-CG 4.31Å; P292-Y297 HydrophobicContact CG-CD1 3.39Å; P292-Y297 HydrophobicContact CG-CE1 4.08Å; P292-Y297 HydrophobicContact CG-CG 3.71Å; Y297-L309 HydrophobicContact CD2-CB 4.2Å; Y297-L309 HydrophobicContact CD2-CD1 4.46Å; Y297-L309 HydrophobicContact CD2-CD2 3.75Å; Y297-L309 HydrophobicContact CD2-CG 4.35Å; Y297-L309 HydrophobicContact CE2-CD2 3.85Å; Y297-Q310 CarbonylContact C-O 3.58Å; Y297-Q310 WeakPolarHBondContact CA-O 3.44Å
298	E	94.2	Very high	90.7	Very high	142 Å²	142	66.2 Å²	66.2	66%	0.664	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.9	175.7	-66.5	174.3	-173.8	0	0	109.7	V300 Q310	E298-V300 PolarHBondContact O-N 2.82Å; E298-Q310 PolarHBondContact N-O 2.85Å; E298-Q310 PolarHBondContact O-N 3.01Å
299	D	92.3	Very high	90.8	Very high	119 Å²	119	64.5 Å²	64.5	64%	0.636	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.3	170.8	-69.2	-68.6	0	0	0	109.5	L309	D299-L309 WeakPolarHBondContact OD1-CD2 3.43Å
300	V	93.3	Very high	90.9	Very high	38 Å²	38	65.9 Å²	65.9	23%	0.23	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.9	178.3	-63.6	0	0	0	0	110.4	E298 T302 S307 A308 Q310	E298-V300 PolarHBondContact O-N 2.82Å; V300-T302 HydrophobicContact CG2-CG2 4.19Å; V300-S307 CarbonylContact O-C 3.51Å; V300-S307 WeakPolarHBondContact O-CA 3.39Å; V300-A308 HydrophobicContact CG2-CB 4.29Å; V300-A308 WeakPolarHBondContact CG2-O 3.5Å; V300-A308 PolarHBondContact N-O 2.71Å; V300-A308 PolarHBondContact O-N 3.23Å; V300-Q310 HydrophobicContact CB-CB 4.43Å; V300-Q310 HydrophobicContact CG1-CB 3.62Å; V300-Q310 HydrophobicContact CG2-CB 3.88Å
301	N	91.8	Very high	91	Very high	141 Å²	141	65 Å²	65	75%	0.754	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.6	167.8	-73.7	-50.5	0	0	0	109.2
302	T	87.2	Confident	91.1	Very high	16 Å²	16	68.8 Å²	68.8	10%	0.098	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	149.2	-179.7	69.3	0	0	0	0	109.7	Y125 V300 T304 D305 G306 A308	Y125-T302 HydrophobicContact CD1-CG2 4.28Å; Y125-T302 HydrophobicContact CD2-CG2 3.77Å; Y125-T302 HydrophobicContact CE1-CG2 4.05Å; Y125-T302 HydrophobicContact CE2-CG2 3.54Å; Y125-T302 HydrophobicContact CG-CG2 4.15Å; V300-T302 HydrophobicContact CG2-CG2 4.19Å; T302-T304 PolarHBondContact O-N 3.27Å; T302-D305 WeakPolarHBondContact OG1-CA 3.47Å; T302-D305 WeakPolarHBondContact OG1-CB 3.37Å; T302-D305 PolarHBondContact OG1-N 2.99Å; T302-G306 PolarHBondContact N-O 3.39Å; T302-G306 PolarHBondContact O-N 2.82Å; T302-G306 PolarHBondContact OG1-N 2.8Å; T302-G306 PolarHBondContact OG1-O 3.25Å; T302-A308 HydrophobicContact CG2-CB 3.85Å
303	N	81.7	Confident	91.1	Very high	175 Å²	175	72 Å²	72	94%	0.936	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.9	179.4	-64.3	-17.5	0	0	0	112.8
304	T	79.3	Confident	91.2	Very high	90 Å²	90	76.2 Å²	76.2	55%	0.552	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-33.6	-170.2	48.6	0	0	0	0	113.8	T302	T302-T304 PolarHBondContact O-N 3.27Å
305	D	80.9	Confident	91.5	Very high	39 Å²	39	72.3 Å²	72.3	21%	0.209	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	4.7	-169.2	-57.9	-88.4	0	0	0	113.4	H134 K135 T302	H134-D305 WeakPolarHBondContact CA-OD2 3.35Å; H134-D305 IonicContact CE1-OD2 3.06Å; H134-D305 IonicContact CG-OD2 2.72Å; H134-D305 IonicContact ND1-OD1 3.61Å; H134-D305 PolarHBondContact ND1-OD1 3.22Å; H134-D305 IonicContact ND1-OD2 3.48Å; H134-D305 PolarHBondContact ND1-OD2 2.91Å; K135-D305 HydrophobicContact CD-CB 4.02Å; K135-D305 WeakPolarHBondContact CE-O 3.47Å; K135-D305 HydrophobicContact CG-CB 3.88Å; K135-D305 PolarHBondContact NZ-O 2.82Å; T302-D305 WeakPolarHBondContact OG1-CA 3.47Å; T302-D305 WeakPolarHBondContact OG1-CB 3.37Å; T302-D305 PolarHBondContact OG1-N 2.99Å
306	G	88.9	Confident	91.8	Very high	35 Å²	35	64.6 Å²	64.6	36%	0.361	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67	-142.3	-173	0	0	0	0	0	111.9	T302 A308	T302-G306 PolarHBondContact N-O 3.39Å; T302-G306 PolarHBondContact O-N 2.82Å; T302-G306 PolarHBondContact OG1-N 2.8Å; T302-G306 PolarHBondContact OG1-O 3.25Å; G306-A308 PolarHBondContact O-N 3.4Å
307	S	90.2	Very high	91.9	Very high	62 Å²	62	67.8 Å²	67.8	43%	0.434	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	125.8	-179.9	168.6	0	0	0	0	111.9	K135 V300	K135-S307 WeakPolarHBondContact CE-O 3.4Å; K135-S307 PolarHBondContact NZ-O 2.7Å; V300-S307 CarbonylContact O-C 3.51Å; V300-S307 WeakPolarHBondContact O-CA 3.39Å
308	A	93.2	Very high	92.1	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	169.6	178.7	0	0	0	0	0	110.8	D123 Y125 K135 V300 T302 G306	D123-A308 CarbonylContact O-C 3.6Å; D123-A308 WeakPolarHBondContact O-CA 3.44Å; D123-A308 WeakPolarHBondContact O-CB 3.42Å; Y125-A308 HydrophobicContact CD2-CB 4.27Å; Y125-A308 HydrophobicContact CG-CB 4.34Å; K135-A308 HydrophobicContact CG-CB 4.08Å; V300-A308 HydrophobicContact CG2-CB 4.29Å; V300-A308 WeakPolarHBondContact CG2-O 3.5Å; V300-A308 PolarHBondContact N-O 2.71Å; V300-A308 PolarHBondContact O-N 3.23Å; T302-A308 HydrophobicContact CG2-CB 3.85Å; G306-A308 PolarHBondContact O-N 3.4Å
309	L	93.7	Very high	92.2	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.063	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	106.4	-179.1	-52.1	175.8	0	0	0	110.1	M121 D123 Y125 P292 Y297 D299 I311	M121-L309 HydrophobicContact CB-CD1 4.4Å; M121-L309 HydrophobicContact CE-CD1 3.42Å; M121-L309 VanDerWaalsContact CE-CD1 3.42Å; M121-L309 HydrophobicContact SD-CD1 4.43Å; D123-L309 HydrophobicContact CB-CD1 4.45Å; D123-L309 HydrophobicContact CB-CG 4.29Å; D123-L309 PolarHBondContact O-N 2.86Å; Y125-L309 PolarHBondContact N-O 3.04Å; P292-L309 HydrophobicContact CG-CD1 4.39Å; Y297-L309 HydrophobicContact CD2-CB 4.2Å; Y297-L309 HydrophobicContact CD2-CD1 4.46Å; Y297-L309 HydrophobicContact CD2-CD2 3.75Å; Y297-L309 HydrophobicContact CD2-CG 4.35Å; Y297-L309 HydrophobicContact CE2-CD2 3.85Å; D299-L309 WeakPolarHBondContact OD1-CD2 3.43Å; L309-I311 PolarHBondContact O-N 2.78Å
310	Q	95.7	Very high	92.4	Very high	59 Å²	59	58.3 Å²	58.3	28%	0.276	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	112.4	172	-179.7	57.1	73.7	0	0	108.8	Y297 E298 V300	Y297-Q310 CarbonylContact C-O 3.58Å; Y297-Q310 WeakPolarHBondContact CA-O 3.44Å; E298-Q310 PolarHBondContact N-O 2.85Å; E298-Q310 PolarHBondContact O-N 3.01Å; V300-Q310 HydrophobicContact CB-CB 4.43Å; V300-Q310 HydrophobicContact CG1-CB 3.62Å; V300-Q310 HydrophobicContact CG2-CB 3.88Å
311	I	96.4	Very high	92.5	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.046	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	149.6	-174.9	70.1	171	0	0	0	112.1	I124 L156 P292 L309 K313 N316	I124-I311 HydrophobicContact CG1-CG2 4.15Å; I124-I311 HydrophobicContact CG2-CD1 3.97Å; I124-I311 HydrophobicContact CG2-CG1 4.33Å; I124-I311 HydrophobicContact CG2-CG2 3.97Å; L156-I311 HydrophobicContact CD2-CD1 3.42Å; L156-I311 VanDerWaalsContact CD2-CD1 3.42Å; P292-I311 HydrophobicContact CB-CB 4.4Å; P292-I311 HydrophobicContact CB-CG2 3.68Å; P292-I311 HydrophobicContact CG-CG2 3.93Å; L309-I311 PolarHBondContact O-N 2.78Å; I311-K313 HydrophobicContact CD1-CG 4.43Å; I311-K313 HydrophobicContact CG1-CG 4.14Å; I311-K313 PolarHBondContact O-N 2.95Å; I311-N316 HydrophobicContact CD1-CB 4.37Å
312	N	96.8	Very high	92.7	Very high	81 Å²	81	59.6 Å²	59.6	43%	0.433	32%	0.324	S	S	.	.			trans	-72.7	101.4	159.3	-176.3	-36.4	0	0	0	108.4	S296 N314 T315 N316	S296-N312 PolarHBondContact O-N 2.74Å; N312-N314 VanDerWaalsContact C-N 3.31Å; N312-N314 PolarHBondContact O-N 2.88Å; N312-N314 PolarHBondContact OD1-N 3.39Å; N312-N314 VanDerWaalsContact OD1-N 3.13Å; N312-T315 PolarHBondContact ND2-OG1 3.43Å; N312-T315 PolarHBondContact OD1-N 3.38Å; N312-T315 VanDerWaalsContact OD1-N 3.07Å; N312-T315 PolarHBondContact OD1-OG1 3.31Å; N312-N316 PolarHBondContact O-N 3.48Å; N312-N316 VanDerWaalsContact O-N 3.13Å; N312-N316 PolarHBondContact O-ND2 3.43Å
313	K	94.8	Very high	93.1	Very high	67 Å²	67	59.7 Å²	59.7	29%	0.291	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-38.3	-175.2	-67.1	-173.2	-179.3	-171.3	0	112.6	N155 I311 K317	N155-K313 PolarHBondContact OD1-NZ 3.02Å; I311-K313 HydrophobicContact CD1-CG 4.43Å; I311-K313 HydrophobicContact CG1-CG 4.14Å; I311-K313 PolarHBondContact O-N 2.95Å; K313-K317 VanDerWaalsContact O-CB 3.25Å; K313-K317 WeakPolarHBondContact O-CB 3.12Å; K313-K317 VanDerWaalsContact O-CG 3.22Å; K313-K317 WeakPolarHBondContact O-CG 3.12Å; K313-K317 PolarHBondContact O-N 3.28Å
314	N	95.4	Very high	93.6	Very high	131 Å²	131	52.6 Å²	52.6	70%	0.701	29%	0.285	S	S	*	.	H	α-helix	trans	-68.3	-48.4	-176.8	-69.4	-11.6	0	0	0	110.9	N312 N316 K317 Q318	N312-N314 VanDerWaalsContact C-N 3.31Å; N312-N314 PolarHBondContact O-N 2.88Å; N312-N314 PolarHBondContact OD1-N 3.39Å; N312-N314 VanDerWaalsContact OD1-N 3.13Å; N314-N316 VanDerWaalsContact C-N 3.32Å; N314-N316 PolarHBondContact O-N 2.92Å; N314-K317 PolarHBondContact O-N 2.81Å; N314-Q318 WeakPolarHBondContact O-CB 3.21Å; N314-Q318 PolarHBondContact O-N 3.19Å
315	T	96.6	Very high	94	Very high	67 Å²	67	52.5 Å²	52.5	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-58.1	-45.6	176.7	-55.6	0	0	0	0	111.5	N312 A319	N312-T315 PolarHBondContact ND2-OG1 3.43Å; N312-T315 PolarHBondContact OD1-N 3.38Å; N312-T315 VanDerWaalsContact OD1-N 3.07Å; N312-T315 PolarHBondContact OD1-OG1 3.31Å; T315-A319 WeakPolarHBondContact O-CB 3.48Å; T315-A319 PolarHBondContact O-N 2.84Å
316	N	97.3	Very high	94.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-44.3	-179.3	-77.9	-81.3	0	0	0	112.4	L156 P292 I293 S296 I311 N312 N314 Q318 A319 I320	L156-N316 HydrophobicContact CD2-CB 4.32Å; P292-N316 WeakPolarHBondContact CA-OD1 2.82Å; P292-N316 WeakPolarHBondContact CB-OD1 3.33Å; I293-N316 PolarHBondContact N-OD1 2.87Å; S296-N316 PolarHBondContact O-ND2 2.88Å; S296-N316 PolarHBondContact OG-ND2 2.84Å; S296-N316 PolarHBondContact OG-OD1 3.13Å; I311-N316 HydrophobicContact CD1-CB 4.37Å; N312-N316 PolarHBondContact O-N 3.48Å; N312-N316 VanDerWaalsContact O-N 3.13Å; N312-N316 PolarHBondContact O-ND2 3.43Å; N314-N316 VanDerWaalsContact C-N 3.32Å; N314-N316 PolarHBondContact O-N 2.92Å; N316-Q318 VanDerWaalsContact C-N 3.31Å; N316-Q318 PolarHBondContact O-N 3.02Å; N316-A319 PolarHBondContact O-N 2.94Å; N316-I320 WeakPolarHBondContact O-CB 3.22Å; N316-I320 VanDerWaalsContact O-CD1 3.28Å; N316-I320 WeakPolarHBondContact O-CD1 3.43Å; N316-I320 WeakPolarHBondContact O-CG1 3.25Å; N316-I320 PolarHBondContact O-N 3.33Å
317	K	97	Very high	93.3	Very high	76 Å²	76	59 Å²	59	33%	0.33	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-42.6	176.2	-78.2	-176.2	177.6	-165.8	0	111.7	K154 N155 K313 N314 I320 K321	K154-K317 PolarHBondContact O-NZ 2.61Å; N155-K317 VanDerWaalsContact C-CE 3.48Å; N155-K317 WeakPolarHBondContact O-CE 3.14Å; K313-K317 VanDerWaalsContact O-CB 3.25Å; K313-K317 WeakPolarHBondContact O-CB 3.12Å; K313-K317 VanDerWaalsContact O-CG 3.22Å; K313-K317 WeakPolarHBondContact O-CG 3.12Å; K313-K317 PolarHBondContact O-N 3.28Å; N314-K317 PolarHBondContact O-N 2.81Å; K317-I320 PolarHBondContact O-N 2.6Å; K317-K321 WeakPolarHBondContact O-CB 3.48Å; K317-K321 PolarHBondContact O-N 3.43Å
318	Q	96.4	Very high	93.4	Very high	98 Å²	98	58.9 Å²	58.9	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-50	178.2	-171.3	60.2	48.6	0	0	111.1	N314 N316 I320 K321 D322	N314-Q318 WeakPolarHBondContact O-CB 3.21Å; N314-Q318 PolarHBondContact O-N 3.19Å; N316-Q318 VanDerWaalsContact C-N 3.31Å; N316-Q318 PolarHBondContact O-N 3.02Å; Q318-I320 VanDerWaalsContact C-N 3.29Å; Q318-I320 PolarHBondContact O-N 3.29Å; Q318-K321 WeakPolarHBondContact O-CB 3.41Å; Q318-K321 PolarHBondContact O-N 3.26Å; Q318-K321 VanDerWaalsContact O-N 3.1Å; Q318-D322 PolarHBondContact NE2-OD1 3.45Å; Q318-D322 PolarHBondContact NE2-OD2 2.99Å; Q318-D322 PolarHBondContact O-N 2.81Å
319	A	96.9	Very high	93.4	Very high	26 Å²	26	61.9 Å²	61.9	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-37.4	178.6	0	0	0	0	0	113	I293 T315 N316 F323	I293-A319 HydrophobicContact CD1-CB 3.76Å; I293-A319 HydrophobicContact CG1-CB 3.6Å; T315-A319 WeakPolarHBondContact O-CB 3.48Å; T315-A319 PolarHBondContact O-N 2.84Å; N316-A319 PolarHBondContact O-N 2.94Å; A319-F323 WeakPolarHBondContact O-CB 3.37Å; A319-F323 PolarHBondContact O-N 3.38Å
320	I	97.2	Very high	93.4	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-46.2	174.1	-75	159.2	0	0	0	110.7	M118 L156 I158 L289 V291 N316 K317 Q318 F323 L324	M118-I320 HydrophobicContact CE-CG2 4.38Å; M118-I320 HydrophobicContact SD-CG1 4.33Å; M118-I320 HydrophobicContact SD-CG2 4Å; L156-I320 HydrophobicContact CB-CD1 3.84Å; L156-I320 HydrophobicContact CD2-CD1 4.08Å; L156-I320 HydrophobicContact CG-CD1 4.41Å; I158-I320 HydrophobicContact CD1-CD1 3.8Å; I158-I320 HydrophobicContact CD1-CG1 4.34Å; I158-I320 HydrophobicContact CD1-CG2 4.18Å; I158-I320 HydrophobicContact CG1-CD1 4.15Å; I158-I320 HydrophobicContact CG1-CG2 3.61Å; L289-I320 HydrophobicContact CD2-CG1 4.17Å; V291-I320 HydrophobicContact CG1-CD1 4Å; V291-I320 HydrophobicContact CG2-CD1 3.95Å; V291-I320 HydrophobicContact CG2-CG1 3.89Å; N316-I320 WeakPolarHBondContact O-CB 3.22Å; N316-I320 VanDerWaalsContact O-CD1 3.28Å; N316-I320 WeakPolarHBondContact O-CD1 3.43Å; N316-I320 WeakPolarHBondContact O-CG1 3.25Å; N316-I320 PolarHBondContact O-N 3.33Å; K317-I320 PolarHBondContact O-N 2.6Å; Q318-I320 VanDerWaalsContact C-N 3.29Å; Q318-I320 PolarHBondContact O-N 3.29Å; I320-F323 PolarHBondContact O-N 3.1Å; I320-L324 HydrophobicContact CG2-CD1 3.86Å; I320-L324 HydrophobicContact CG2-CG 4.42Å; I320-L324 WeakPolarHBondContact O-CB 3.41Å; I320-L324 VanDerWaalsContact O-CG 3.27Å; I320-L324 WeakPolarHBondContact O-CG 3.41Å; I320-L324 PolarHBondContact O-N 3.45Å
321	K	95.1	Very high	93.3	Very high	119 Å²	119	65.1 Å²	65.1	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-51.8	178.2	-176.1	-177	176.4	-171.7	0	110.7	K317 Q318 F323 L324 D325	K317-K321 WeakPolarHBondContact O-CB 3.48Å; K317-K321 PolarHBondContact O-N 3.43Å; Q318-K321 WeakPolarHBondContact O-CB 3.41Å; Q318-K321 PolarHBondContact O-N 3.26Å; Q318-K321 VanDerWaalsContact O-N 3.1Å; K321-F323 VanDerWaalsContact C-N 3.28Å; K321-F323 PolarHBondContact O-N 2.84Å; K321-L324 PolarHBondContact O-N 3.42Å; K321-L324 VanDerWaalsContact O-N 3.11Å; K321-D325 WeakPolarHBondContact CE-OD2 3.17Å; K321-D325 VanDerWaalsContact CG-OD2 3.27Å; K321-D325 WeakPolarHBondContact CG-OD2 3.38Å; K321-D325 WeakPolarHBondContact O-CB 3.38Å; K321-D325 PolarHBondContact O-N 2.87Å
322	D	95.7	Very high	93.1	Very high	86 Å²	86	68.6 Å²	68.6	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-56.1	-46	178.6	-63.5	-20.8	0	0	0	110.5	Q318 L324 D325 E326	Q318-D322 PolarHBondContact NE2-OD1 3.45Å; Q318-D322 PolarHBondContact NE2-OD2 2.99Å; Q318-D322 PolarHBondContact O-N 2.81Å; D322-L324 PolarHBondContact O-N 3.07Å; D322-D325 PolarHBondContact O-N 3.37Å; D322-E326 VanDerWaalsContact O-CB 3.23Å; D322-E326 WeakPolarHBondContact O-CB 3.1Å; D322-E326 PolarHBondContact O-N 2.8Å
323	F	95.3	Very high	92.8	Very high	18 Å²	18	67.7 Å²	67.7	8%	0.079	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-40.6	177.5	178.3	-100.9	0	0	0	113.4	K116 M118 K287 L289 A319 I320 K321	K116-F323 HydrophobicContact CB-CE1 3.66Å; K116-F323 HydrophobicContact CB-CZ 3.75Å; K116-F323 HydrophobicContact CD-CD1 4.44Å; K116-F323 HydrophobicContact CD-CE1 4.16Å; K116-F323 HydrophobicContact CD-CZ 4.33Å; K116-F323 VanDerWaalsContact CD-O 3.22Å; K116-F323 WeakPolarHBondContact CD-O 3.47Å; K116-F323 VanDerWaalsContact CE-O 3.29Å; K116-F323 WeakPolarHBondContact CE-O 3.31Å; K116-F323 HydrophobicContact CG-CE1 4.32Å; K116-F323 HydrophobicContact CG-CZ 4.2Å; K116-F323 PolarHBondContact NZ-O 3.15Å; M118-F323 HydrophobicContact CG-CD1 3.65Å; M118-F323 HydrophobicContact CG-CE1 3.41Å; M118-F323 VanDerWaalsContact CG-CE1 3.41Å; M118-F323 HydrophobicContact CG-CZ 4.45Å; M118-F323 HydrophobicContact SD-CD1 3.76Å; M118-F323 HydrophobicContact SD-CE1 4.13Å; K287-F323 HydrophobicContact CB-CE2 3.85Å; K287-F323 HydrophobicContact CB-CZ 4.15Å; L289-F323 HydrophobicContact CB-CD1 4.03Å; L289-F323 HydrophobicContact CB-CD2 4Å; L289-F323 HydrophobicContact CB-CE1 3.99Å; L289-F323 HydrophobicContact CB-CE2 3.95Å; L289-F323 HydrophobicContact CB-CG 4.02Å; L289-F323 HydrophobicContact CB-CZ 3.95Å; L289-F323 HydrophobicContact CD1-CD2 4.49Å; L289-F323 HydrophobicContact CD2-CB 3.87Å; L289-F323 HydrophobicContact CD2-CD1 4.14Å; L289-F323 HydrophobicContact CD2-CG 3.94Å; L289-F323 HydrophobicContact CG-CG 4.43Å; A319-F323 WeakPolarHBondContact O-CB 3.37Å; A319-F323 PolarHBondContact O-N 3.38Å; I320-F323 PolarHBondContact O-N 3.1Å; K321-F323 VanDerWaalsContact C-N 3.28Å; K321-F323 PolarHBondContact O-N 2.84Å
324	L	91.9	Very high	92.7	Very high	27 Å²	27	67.8 Å²	67.8	14%	0.141	35%	0.347	C	S	.	.	H	α-helix	trans	-75.7	-32.7	-179.3	-69.7	176	0	0	0	112.8	Q107 K116 M118 I320 K321 D322	Q107-L324 HydrophobicContact CB-CD2 4.28Å; Q107-L324 PolarHBondContact OE1-O 3.4Å; K116-L324 VanDerWaalsContact NZ-C 3.32Å; K116-L324 PolarHBondContact NZ-O 3.13Å; M118-L324 HydrophobicContact CE-CD1 3.98Å; M118-L324 HydrophobicContact CE-CD2 3.77Å; M118-L324 HydrophobicContact CE-CG 4.14Å; M118-L324 HydrophobicContact SD-CD1 4.37Å; M118-L324 HydrophobicContact SD-CD2 3.94Å; M118-L324 HydrophobicContact SD-CG 4.06Å; I320-L324 HydrophobicContact CG2-CD1 3.86Å; I320-L324 HydrophobicContact CG2-CG 4.42Å; I320-L324 WeakPolarHBondContact O-CB 3.41Å; I320-L324 VanDerWaalsContact O-CG 3.27Å; I320-L324 WeakPolarHBondContact O-CG 3.41Å; I320-L324 PolarHBondContact O-N 3.45Å; K321-L324 PolarHBondContact O-N 3.42Å; K321-L324 VanDerWaalsContact O-N 3.11Å; D322-L324 PolarHBondContact O-N 3.07Å
325	D	88.1	Confident	92.5	Very high	88 Å²	88	62.9 Å²	62.9	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-88.4	-17.1	-177.8	-67	-17.8	0	0	0	113.1	K321 D322 D327	K321-D325 WeakPolarHBondContact CE-OD2 3.17Å; K321-D325 VanDerWaalsContact CG-OD2 3.27Å; K321-D325 WeakPolarHBondContact CG-OD2 3.38Å; K321-D325 WeakPolarHBondContact O-CB 3.38Å; K321-D325 PolarHBondContact O-N 2.87Å; D322-D325 PolarHBondContact O-N 3.37Å; D325-D327 PolarHBondContact O-N 3.19Å
326	E	83.9	Confident	92.1	Very high	95 Å²	95	62.6 Å²	62.6	44%	0.444	31%	0.312	S	S	.	.			trans	-62.1	116.1	178	-172.9	-168.1	-174.6	0	0	112.5	K116 K287 D322	K116-E326 VanDerWaalsContact CE-O 3.27Å; K116-E326 WeakPolarHBondContact CE-O 3.27Å; K116-E326 PolarHBondContact NZ-O 2.71Å; K287-E326 IonicContact NZ-OE1 3.6Å; K287-E326 PolarHBondContact NZ-OE1 2.83Å; K287-E326 IonicContact NZ-OE2 2.89Å; K287-E326 PolarHBondContact NZ-OE2 2.82Å; D322-E326 VanDerWaalsContact O-CB 3.23Å; D322-E326 WeakPolarHBondContact O-CB 3.1Å; D322-E326 PolarHBondContact O-N 2.8Å
327	D	70.8	Confident	91.7	Very high	115 Å²	115	68.3 Å²	68.3	62%	0.615	34%	0.341	S	S	*	.			trans	-62.6	0	-176	-73.1	-44.9	0	0	0	115.8	N112 K114 D325	N112-D327 PolarHBondContact ND2-OD1 3.33Å; N112-D327 VanDerWaalsContact ND2-OD1 3.1Å; K114-D327 VanDerWaalsContact CD-OXT 3.22Å; K114-D327 WeakPolarHBondContact CD-OXT 3.39Å; K114-D327 WeakPolarHBondContact CE-OXT 3.2Å; K114-D327 PolarHBondContact NZ-O 3.26Å; K114-D327 PolarHBondContact NZ-OXT 2.87Å; D325-D327 PolarHBondContact O-N 3.19Å

Retrieved 327 of 327 residues in 61.9 ms (Link to these results)

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